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

*Links on SpectraBase are not permalinks.

benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-2-[[(4-nitro-1H-pyrazol-1-yl)acetyl]amino]-, methyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-2-[[(4-nitro-1H-pyrazol-1-yl)acetyl]amino]-, methyl ester
SpectraBase Compound ID F4sxcajB6Hg
InChI InChI=1S/C19H24N4O5S/c1-19(2,3)11-5-6-13-14(7-11)29-17(16(13)18(25)28-4)21-15(24)10-22-9-12(8-20-22)23(26)27/h8-9,11H,5-7,10H2,1-4H3,(H,21,24)
InChIKey ODVHPLMHGKDEOC-UHFFFAOYSA-N
Mol Weight 420.48 g/mol
Molecular Formula C19H24N4O5S
Exact Mass 420.146741 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 7RsAeoho34w
Name benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-2-[[(4-nitro-1H-pyrazol-1-yl)acetyl]amino]-, methyl 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/C19H24N4O5S/c1-19(2,3)11-5-6-13-14(7-11)29-17(16(13)18(25)28-4)21-15(24)10-22-9-12(8-20-22)23(26)27/h8-9,11H,5-7,10H2,1-4H3,(H,21,24)
InChIKey ODVHPLMHGKDEOC-UHFFFAOYSA-N
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_CB_8313_1656
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/9213821; Labnumber: PNA-NA00060
Temperature 313 °C