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

*Links on SpectraBase are not permalinks.
methyl 2-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID ATe1s3ncloP
InChI InChI=1S/C20H18ClN3O3S/c1-27-20(26)17-15-3-2-4-16(15)28-19(17)23-18(25)13-7-5-12(6-8-13)10-24-11-14(21)9-22-24/h5-9,11H,2-4,10H2,1H3,(H,23,25)
InChIKey YMKZPDMXGXATIT-UHFFFAOYSA-N
Mol Weight 415.9 g/mol
Molecular Formula C20H18ClN3O3S
Exact Mass 415.07574 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 Itd5Xa8y6tm
Name methyl 2-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-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/C20H18ClN3O3S/c1-27-20(26)17-15-3-2-4-16(15)28-19(17)23-18(25)13-7-5-12(6-8-13)10-24-11-14(21)9-22-24/h5-9,11H,2-4,10H2,1H3,(H,23,25)
InChIKey YMKZPDMXGXATIT-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4222
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: 9679330; UBI_ID: UBI-004223
Temperature 308 °C