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2-propenoic acid, 3-(1H-indol-3-yl)-2-[(trifluoroacetyl)amino]-,methyl ester, (2Z)-
SpectraBase Compound ID 9TvLxkL48sj
InChI InChI=1S/C14H11F3N2O3/c1-22-12(20)11(19-13(21)14(15,16)17)6-8-7-18-10-5-3-2-4-9(8)10/h2-7,18H,1H3,(H,19,21)/b11-6-
InChIKey DGSPKYRZSLMNFQ-WDZFZDKYSA-N
Mol Weight 312.25 g/mol
Molecular Formula C14H11F3N2O3
Exact Mass 312.072177 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AMGeWharn2C
Name 2-propenoic acid, 3-(1H-indol-3-yl)-2-[(trifluoroacetyl)amino]-,methyl ester, (2Z)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.072176708 u
Formula C14H11F3N2O3
InChI InChI=1S/C14H11F3N2O3/c1-22-12(20)11(19-13(21)14(15,16)17)6-8-7-18-10-5-3-2-4-9(8)10/h2-7,18H,1H3,(H,19,21)/b11-6-
InChIKey DGSPKYRZSLMNFQ-WDZFZDKYSA-N
Molecular Weight 312.248 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5475
Solvent DMSO-d6
Source Vendor ID: NMR/9244888; Lab Info: BAB; Lab Number: BAB-BIOX009