(1R,2R,4R)-dihydrocarveol (C10H18O)

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BMRB entry bmse000533

Entry DOI: doi:10.13018/BMSE000533
Data source: Madison Metabolomics Consortium - Francisca Jofre, Anne Badjeck, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000533.str

NMR-STAR

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Structure file (mol/sdf):

bmse000533.mol

All files for

bmse000533

Time Domain Data:

bmse000533.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C8C240.3981
C9C344.5181
C10C476.7781
C6C540.9381
C4C633.6181
C5C731.4581
C3C818.6981
C7C9149.7881
C2C1021.2381
C1C11108.9581
H26H121.2144
H27H132.0104
H28H143.1941
H24H152.0104
H25H161.2144
H20H171.7664
H21H181.0854
H22H191.7664
H23H201.6894
H19H211.0341
H17H221.0341
H18H231.0341
H29H241.034
H14H251.7251
H16H261.7251
H15H271.7251
H12H284.6981
H13H294.6981

NMR experiments

1: 1D 1H
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 1
Download time domain data: bmse000533_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 2
Download time domain data: bmse000533_2.zip

3: 1D 13C
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 3
Download time domain data: bmse000533_3.zip

4: 1D DEPT90
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 4
Download time domain data: bmse000533_4.zip

5: 1D DEPT135
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 5
Download time domain data: bmse000533_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 6
Download time domain data: bmse000533_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 7
Download time domain data: bmse000533_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 8
Download time domain data: bmse000533_8.zip