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1-(2-Chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

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1-(2-Chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide
SpectraBase Compound ID IbUY2Vwzmi3
InChI InChI=1S/C20H18ClN3O2S/c21-15-6-2-3-7-16(15)24-11-12(9-18(24)25)19(26)23-20-14(10-22)13-5-1-4-8-17(13)27-20/h2-3,6-7,12H,1,4-5,8-9,11H2,(H,23,26)
InChIKey JFOMBCSQEQDAQJ-UHFFFAOYSA-N
Mol Weight 399.9 g/mol
Molecular Formula C20H18ClN3O2S
Exact Mass 399.080826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3z0nZHQcPgm
Name 3-pyrrolidinecarboxamide, 1-(2-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-5-oxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.080825704 u
Formula C20H18ClN3O2S
InChI InChI=1S/C20H18ClN3O2S/c21-15-6-2-3-7-16(15)24-11-12(9-18(24)25)19(26)23-20-14(10-22)13-5-1-4-8-17(13)27-20/h2-3,6-7,12H,1,4-5,8-9,11H2,(H,23,26)
InChIKey JFOMBCSQEQDAQJ-UHFFFAOYSA-N
Molecular Weight 399.896 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7588
Solvent DMSO-d6
Source Vendor ID: NMR/9312580; Lab Info: LP; Lab Number: LP-0201256