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-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-, ethyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-6-bromo-7-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-, ethyl ester
SpectraBase Compound ID GDAMeW2Q3r2
InChI InChI=1S/C20H27BrN2O5S/c1-6-27-19(26)18-15(23-11(2)24)13-7-8-14(21)16(17(13)29-18)28-10-12(25)9-22-20(3,4)5/h7-8,12,22,25H,6,9-10H2,1-5H3,(H,23,24)
InChIKey HRWQMDAVMVUBBY-UHFFFAOYSA-N
Mol Weight 487.41 g/mol
Molecular Formula C20H27BrN2O5S
Exact Mass 486.082406 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 9FSXDtXfneT
Name benzo[b]thiophene-2-carboxylic acid, 3-(acetylamino)-6-bromo-7-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-, 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/C20H27BrN2O5S/c1-6-27-19(26)18-15(23-11(2)24)13-7-8-14(21)16(17(13)29-18)28-10-12(25)9-22-20(3,4)5/h7-8,12,22,25H,6,9-10H2,1-5H3,(H,23,24)
InChIKey HRWQMDAVMVUBBY-UHFFFAOYSA-N
NMR Offset 15.3737
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_3288
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/6014223; Labnumber: SMM-933; IOH_ID: IOH-010291
Temperature 297 °C