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methyl 2-{[(2E)-3-(2-chlorophenyl)-2-propenoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID CD7wfUQOzSm
InChI InChI=1S/C21H22ClNO3S/c1-26-21(25)19-15-9-4-2-3-5-11-17(15)27-20(19)23-18(24)13-12-14-8-6-7-10-16(14)22/h6-8,10,12-13H,2-5,9,11H2,1H3,(H,23,24)/b13-12+
InChIKey CAEYWOXCYNAWMR-OUKQBFOZSA-N
Mol Weight 403.92 g/mol
Molecular Formula C21H22ClNO3S
Exact Mass 403.100892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F9cAHWQojYd
Name methyl 2-{[(2E)-3-(2-chlorophenyl)-2-propenoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-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/C21H22ClNO3S/c1-26-21(25)19-15-9-4-2-3-5-11-17(15)27-20(19)23-18(24)13-12-14-8-6-7-10-16(14)22/h6-8,10,12-13H,2-5,9,11H2,1H3,(H,23,24)/b13-12+
InChIKey CAEYWOXCYNAWMR-OUKQBFOZSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2538
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/8054807; UBI_ID: UBI-002539
Synonyms methyl 2-{[3-(2-chlorophenyl)-2-propenoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Temperature 313 °C