1_naphthalenemethanol (C11H10O)

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BMRB entry bmse000690

Entry DOI: doi:10.13018/BMSE000690
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu

NMR-STAR file:

bmse000690.str

NMR-STAR

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Structure file (mol/sdf):

bmse000690.mol

All files for

bmse000690

Time Domain Data:

bmse000690.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom ID	Author Nomenclature	Value	Ambiguity Code
C11	C2	132.241	1
C10	C3	137.683	1
C9	C4	134.752	1
C6	C5	129.183	4
C6	C5	128.590	4
C6	C5	126.558	4
C6	C5	126.212	4
C6	C5	125.970	4
C6	C5	125.479	4
C6	C5	124.328	4
C7	C6	129.183	4
C7	C6	128.590	4
C7	C6	126.558	4
C7	C6	126.212	4
C7	C6	125.970	4
C7	C6	125.479	4
C7	C6	124.328	4
C5	C7	129.183	4
C5	C7	128.590	4
C5	C7	126.558	4
C5	C7	126.212	4
C5	C7	125.970	4
C5	C7	125.479	4
C5	C7	124.328	4
C8	C8	8	1
C4	C9	129.183	4
C4	C9	128.590	4
C4	C9	126.558	4
C4	C9	126.212	4
C4	C9	125.970	4
C4	C9	125.479	4
C4	C9	124.328	4
C3	C10	129.183	4
C3	C10	128.590	4
C3	C10	126.558	4
C3	C10	126.212	4
C3	C10	125.970	4
C3	C10	125.479	4
C3	C10	124.328	4
C2	C11	129.183	4
C2	C11	128.590	4
C2	C11	126.558	4
C2	C11	126.212	4
C2	C11	125.970	4
C2	C11	125.479	4
C2	C11	124.328	4
C1	C12	129.183	4
C1	C12	128.590	4
C1	C12	126.558	4
C1	C12	126.212	4
C1	C12	125.970	4
C1	C12	125.479	4
C1	C12	124.328	4
H18	H13	8.083	4
H18	H13	7.837	4
H18	H13	7.755	4
H18	H13	7.541	4
H18	H13	7.440	4
H19	H14	8.083	4
H19	H14	7.837	4
H19	H14	7.755	4
H19	H14	7.541	4
H19	H14	7.440	4
H17	H15	8.083	4
H17	H15	7.837	4
H17	H15	7.755	4
H17	H15	7.541	4
H17	H15	7.440	4
H20	H16	16	1
H20	H16	17	1
H21	H17	16	1
H21	H17	17	1
H16	H18	8.083	4
H16	H18	7.837	4
H16	H18	7.755	4
H16	H18	7.541	4
H16	H18	7.440	4
H15	H19	8.083	4
H15	H19	7.837	4
H15	H19	7.755	4
H15	H19	7.541	4
H15	H19	7.440	4
H14	H20	8.083	4
H14	H20	7.837	4
H14	H20	7.755	4
H14	H20	7.541	4
H14	H20	7.440	4
H13	H21	8.083	4
H13	H21	7.837	4
H13	H21	7.755	4
H13	H21	7.541	4
H13	H21	7.440	4

NMR experiments

1: 1D 1H
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000690_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #2: 2D [1H,1H]-TOCSY

Download time domain data: bmse000690_2.zip

3: 1D 13C
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000690_3.zip

4: 1D DEPT90
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000690_4.zip

5: 1D DEPT135
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000690_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #6: 2D [1H,13C]-HSQC

Download time domain data: bmse000690_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #7: 2D [1H,13C]-HMBC

Download time domain data: bmse000690_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #8: 2D [1H,1H]-COSY

Download time domain data: bmse000690_8.zip