3-(1H-indol-3-yl)prop-2-enoic Acid (C11H9NO2)

3-(1H-indol-3-yl)prop-2-enoic Acid bmse001114 - Data

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BMRB entry bmse001114

Entry DOI: doi:10.13018/BMSE001114
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Lawrence J. Clos, Christopher Stancic, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse001114.str

NMR-STAR

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Structure file (mol/sdf):

bmse001114.mol

All files for

bmse001114

Time Domain Data:

bmse001114.zip

View the GISSMO record for this entry.

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 Avance III - 500MHz

Atom IDValueAmbiguity Code
C9127.41081
C10139.9061
C8114.54991
C7132.52731
C3123.73351
C4115.17711
C5138.13711
C1122.72171
C2125.64521
C6121.24771
C11179.84711
H227.69541
H217.29171
H177.56521
H187.69541
H197.9821
H157.31771
H166.51021

NMR experiments

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

Array spectrum for 1
Download time domain data: bmse001114_1.zip

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

Array spectrum for 2
Download time domain data: bmse001114_2.zip

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

Array spectrum for 3
Download time domain data: bmse001114_3.zip

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

Array spectrum for 4
Download time domain data: bmse001114_4.zip

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

Array spectrum for 5
Download time domain data: bmse001114_5.zip

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

Array spectrum for 6
Download time domain data: bmse001114_6.zip

8: 2D 1H-13C HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 8
Download time domain data: bmse001114_8.zip

9: 2D 1H-1H COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 9
Download time domain data: bmse001114_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 10
Download time domain data: bmse001114_10.zip