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isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 4qO2RtwC5ip
InChI InChI=1S/C21H20ClNO3S2/c1-11(2)26-21(25)16-12-7-3-5-9-14(12)28-20(16)23-19(24)18-17(22)13-8-4-6-10-15(13)27-18/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,23,24)
InChIKey JMENXCBTTHTMFQ-UHFFFAOYSA-N
Mol Weight 433.97 g/mol
Molecular Formula C21H20ClNO3S2
Exact Mass 433.057314 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ebb1byd1ZyJ
Name isopropyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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/C21H20ClNO3S2/c1-11(2)26-21(25)16-12-7-3-5-9-14(12)28-20(16)23-19(24)18-17(22)13-8-4-6-10-15(13)27-18/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,23,24)
InChIKey JMENXCBTTHTMFQ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2830
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: 9255677; UBI_ID: UBI-002831
Temperature 313 °C