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isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
SpectraBase Compound ID LQ5EGiUk0FW
InChI InChI=1S/C21H21ClN2O4S2/c1-10(2)28-21(27)14-11(3)16(20(26)24(4)5)30-19(14)23-18(25)17-15(22)12-8-6-7-9-13(12)29-17/h6-10H,1-5H3,(H,23,25)
InChIKey GRCCECYBUINTJU-UHFFFAOYSA-N
Mol Weight 464.98 g/mol
Molecular Formula C21H21ClN2O4S2
Exact Mass 464.063127 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Ii8lYhFm0S
Name isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5-[(dimethylamino)carbonyl]-4-methyl-3-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/C21H21ClN2O4S2/c1-10(2)28-21(27)14-11(3)16(20(26)24(4)5)30-19(14)23-18(25)17-15(22)12-8-6-7-9-13(12)29-17/h6-10H,1-5H3,(H,23,25)
InChIKey GRCCECYBUINTJU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18944
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/9131931; UBI_ID: UBI-018947
Temperature 318 °C