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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(1-methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino]-, 1-methylethyl ester
SpectraBase Compound ID 1T4FHh4PQbg
InChI InChI=1S/C17H20N4O5S/c1-9(2)26-17(23)13-10-6-4-5-7-12(10)27-16(13)18-15(22)14-11(21(24)25)8-20(3)19-14/h8-9H,4-7H2,1-3H3,(H,18,22)
InChIKey ZXVWKGNNDQQQAP-UHFFFAOYSA-N
Mol Weight 392.43 g/mol
Molecular Formula C17H20N4O5S
Exact Mass 392.115441 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 IMvJt5oYUt9
Name benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(1-methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino]-, 1-methylethyl 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 392.115440929 u
Formula C17H20N4O5S
InChI InChI=1S/C17H20N4O5S/c1-9(2)26-17(23)13-10-6-4-5-7-12(10)27-16(13)18-15(22)14-11(21(24)25)8-20(3)19-14/h8-9H,4-7H2,1-3H3,(H,18,22)
InChIKey ZXVWKGNNDQQQAP-UHFFFAOYSA-N
Molecular Weight 392.430 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5036
Solvent DMSO-d6
Source Vendor ID: NMR/9233876; Lab Info: PNA; Lab Number: PNA-NA00140