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methyl 5-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4-cyano-3-methyl-2-thiophenecarboxylate
SpectraBase Compound ID 3P92Cr9GT67
InChI InChI=1S/C18H13ClN2O3S2/c1-8-4-5-10-12(6-8)25-15(13(10)19)16(22)21-17-11(7-20)9(2)14(26-17)18(23)24-3/h4-6H,1-3H3,(H,21,22)
InChIKey OHHYNUWIWKCKIP-UHFFFAOYSA-N
Mol Weight 404.89 g/mol
Molecular Formula C18H13ClN2O3S2
Exact Mass 404.005612 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Euj3ZIMgno
Name methyl 5-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4-cyano-3-methyl-2-thiophenecarboxylate
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/C18H13ClN2O3S2/c1-8-4-5-10-12(6-8)25-15(13(10)19)16(22)21-17-11(7-20)9(2)14(26-17)18(23)24-3/h4-6H,1-3H3,(H,21,22)
InChIKey OHHYNUWIWKCKIP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2208
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: UZI/8043255; UBI_ID: UBI-002209
Temperature 318 °C