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1H-indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-phenyl-2-[(phenylthio)methyl]-, ethyl ester
SpectraBase Compound ID 2A77sHLy5aC
InChI InChI=1S/C24H20BrNO3S/c1-2-29-24(28)23-18-13-22(27)19(25)14-20(18)26(16-9-5-3-6-10-16)21(23)15-30-17-11-7-4-8-12-17/h3-14,27H,2,15H2,1H3
InChIKey FVTGZKFQXJFETF-UHFFFAOYSA-N
Mol Weight 482.39 g/mol
Molecular Formula C24H20BrNO3S
Exact Mass 481.034728 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H7hmFHaAtRU
Name 1H-indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-phenyl-2-[(phenylthio)methyl]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.034727679 u
Formula C24H20BrNO3S
InChI InChI=1S/C24H20BrNO3S/c1-2-29-24(28)23-18-13-22(27)19(25)14-20(18)26(16-9-5-3-6-10-16)21(23)15-30-17-11-7-4-8-12-17/h3-14,27H,2,15H2,1H3
InChIKey FVTGZKFQXJFETF-UHFFFAOYSA-N
Molecular Weight 482.392 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1454
Solvent DMSO-d6
Source Vendor ID: NMR/9213736; Lab Info: JMR; Lab Number: JMR-D000267