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diethyl 5-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-3-methyl-2,4-thiophenedicarboxylate
SpectraBase Compound ID DV1BUP2vJ6U
InChI InChI=1S/C21H20ClNO5S2/c1-5-27-20(25)14-11(4)16(21(26)28-6-2)30-19(14)23-18(24)17-15(22)12-8-7-10(3)9-13(12)29-17/h7-9H,5-6H2,1-4H3,(H,23,24)
InChIKey PWNHHGPMSVXZBL-UHFFFAOYSA-N
Mol Weight 465.97 g/mol
Molecular Formula C21H20ClNO5S2
Exact Mass 465.047143 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5z3lfAGANbM
Name diethyl 5-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-3-methyl-2,4-thiophenedicarboxylate
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/C21H20ClNO5S2/c1-5-27-20(25)14-11(4)16(21(26)28-6-2)30-19(14)23-18(24)17-15(22)12-8-7-10(3)9-13(12)29-17/h7-9H,5-6H2,1-4H3,(H,23,24)
InChIKey PWNHHGPMSVXZBL-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2964
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/8075343; UBI_ID: UBI-002965
Temperature 313 °C