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ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
SpectraBase Compound ID 57Zaj0OUuIB
InChI InChI=1S/C25H22BrNO3S/c1-2-30-25(29)24-19-13-23(28)20(26)14-21(19)27(15-17-9-5-3-6-10-17)22(24)16-31-18-11-7-4-8-12-18/h3-14,28H,2,15-16H2,1H3
InChIKey BFYFHPIXFIGYMZ-UHFFFAOYSA-N
Mol Weight 496.42 g/mol
Molecular Formula C25H22BrNO3S
Exact Mass 495.050378 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Esh1RrAs3Pf
Name ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H22BrNO3S/c1-2-30-25(29)24-19-13-23(28)20(26)14-21(19)27(15-17-9-5-3-6-10-17)22(24)16-31-18-11-7-4-8-12-18/h3-14,28H,2,15-16H2,1H3
InChIKey BFYFHPIXFIGYMZ-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3933
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/8305299; Labnumber: JMR-D000279; IOH_ID: IOH-003934
Temperature 297 °C