For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-, ethyl ester
SpectraBase Compound ID Ae85s7t4Z2v
InChI InChI=1S/C21H17BrN2O7S/c1-3-30-21(27)20-17(23-11(2)25)14-8-9-15(22)18(19(14)32-20)31-10-16(26)12-4-6-13(7-5-12)24(28)29/h4-9H,3,10H2,1-2H3,(H,23,25)
InChIKey MSMCRPYRGLWDMC-UHFFFAOYSA-N
Mol Weight 521.34 g/mol
Molecular Formula C21H17BrN2O7S
Exact Mass 519.993985 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4oFPMQ5mdTP
Name benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-, ethyl ester
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/C21H17BrN2O7S/c1-3-30-21(27)20-17(23-11(2)25)14-8-9-15(22)18(19(14)32-20)31-10-16(26)12-4-6-13(7-5-12)24(28)29/h4-9H,3,10H2,1-2H3,(H,23,25)
InChIKey MSMCRPYRGLWDMC-UHFFFAOYSA-N
NMR Offset 15.3737
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_3289
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: ZI/6014234; Labnumber: SMM-938; IOH_ID: IOH-010292
Temperature 297 °C