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methyl 2-({3-[(4-chloro-1H-pyrazol-1-yl)methoxy]benzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID EGO2Y5CBDIo
InChI InChI=1S/C20H18ClN3O4S/c1-27-20(26)17-15-6-3-7-16(15)29-19(17)23-18(25)12-4-2-5-14(8-12)28-11-24-10-13(21)9-22-24/h2,4-5,8-10H,3,6-7,11H2,1H3,(H,23,25)
InChIKey IZNXYVXMVCKUHC-UHFFFAOYSA-N
Mol Weight 431.89 g/mol
Molecular Formula C20H18ClN3O4S
Exact Mass 431.070655 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4kFKLhzRbzz
Name methyl 2-({3-[(4-chloro-1H-pyrazol-1-yl)methoxy]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/C20H18ClN3O4S/c1-27-20(26)17-15-6-3-7-16(15)29-19(17)23-18(25)12-4-2-5-14(8-12)28-11-24-10-13(21)9-22-24/h2,4-5,8-10H,3,6-7,11H2,1H3,(H,23,25)
InChIKey IZNXYVXMVCKUHC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33532
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: 1996028; SBI_ID: SBI-033536
Temperature 318 °C