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1H-benz[g]indole-3-carboxylic acid, 5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, ethyl ester
SpectraBase Compound ID umsD6r87lZ
InChI InChI=1S/C23H21NO3S/c1-3-27-23(26)21-18-13-20(25)16-11-7-8-12-17(16)22(18)24(2)19(21)14-28-15-9-5-4-6-10-15/h4-13,25H,3,14H2,1-2H3
InChIKey HTUVKIKYFLGCJO-UHFFFAOYSA-N
Mol Weight 391.49 g/mol
Molecular Formula C23H21NO3S
Exact Mass 391.124215 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1AzXKirFXYx
Name 1H-benz[g]indole-3-carboxylic acid, 5-hydroxy-1-methyl-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 391.124214711 u
Formula C23H21NO3S
InChI InChI=1S/C23H21NO3S/c1-3-27-23(26)21-18-13-20(25)16-11-7-8-12-17(16)22(18)24(2)19(21)14-28-15-9-5-4-6-10-15/h4-13,25H,3,14H2,1-2H3
InChIKey HTUVKIKYFLGCJO-UHFFFAOYSA-N
Molecular Weight 391.485 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_119
Solvent DMSO-d6
Source Vendor ID: NMR/8305272; Lab Info: JMR; Lab Number: JMR-D000205
Temperature 29.85 °C