1-amino-1-cyclohexanecarboxylic Acid (C7H13NO2)

1-amino-1-cyclohexanecarboxylic Acid bmse000728 - Data

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BMRB entry bmse000728

Entry DOI: doi:10.13018/BMSE000728
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu

NMR-STAR file:

bmse000728.str

NMR-STAR

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Structure file (mol/sdf):

bmse000728.mol

All files for

bmse000728

Time Domain Data:

bmse000728.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Atom ID	Author Nomenclature	Value	Ambiguity Code
C7	C4	64.38	1
C4	C5	34.157	1
C5	C6	34.157	1
C2	C7	23.139	1
C3	C8	23.139	1
C1	C9	26.763	1
C6	C10	180.475	1
H17	H11	1.967	4
H17	H11	1.727	4
H18	H12	1.967	4
H18	H12	1.727	4
H19	H13	1.967	4
H19	H13	1.727	4
H20	H14	1.967	4
H20	H14	1.727	4
H13	H15	1.727	4
H13	H15	1.409	4
H14	H16	1.727	4
H14	H16	1.409	4
H15	H17	1.727	4
H15	H17	1.409	4
H16	H18	1.727	4
H16	H18	1.409	4
H11	H19	1.727	4
H11	H19	1.409	4
H12	H20	1.727	4
H12	H20	1.409	4

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000728_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000728_2.zip

3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000728_3.zip

4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000728_4.zip

5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000728_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000728_6.zip

7: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000728_7.zip

8: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000728_8.zip