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methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Bi77thJPFly
InChI InChI=1S/C25H20ClNO3S2/c1-30-25(29)20-16-12-11-15(14-7-3-2-4-8-14)13-19(16)32-24(20)27-23(28)22-21(26)17-9-5-6-10-18(17)31-22/h2-10,15H,11-13H2,1H3,(H,27,28)
InChIKey OIUCMVTUKHTFHL-UHFFFAOYSA-N
Mol Weight 482.01 g/mol
Molecular Formula C25H20ClNO3S2
Exact Mass 481.057314 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7oMYm8S0UeE
Name methyl 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-6-phenyl-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/C25H20ClNO3S2/c1-30-25(29)20-16-12-11-15(14-7-3-2-4-8-14)13-19(16)32-24(20)27-23(28)22-21(26)17-9-5-6-10-18(17)31-22/h2-10,15H,11-13H2,1H3,(H,27,28)
InChIKey OIUCMVTUKHTFHL-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2690
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: 9169597; UBI_ID: UBI-002691
Temperature 313 °C