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Benzoic acid, 2-[[1-(3-cyano-4,5,6,7-tetrahydrobenzo[B]thien-2-yl)-2,5-dioxo-3-pyrrolidinyl]thio]-
SpectraBase Compound ID 9smuljdX2Dh
InChI InChI=1S/C20H16N2O4S2/c21-10-13-11-5-1-3-7-14(11)28-19(13)22-17(23)9-16(18(22)24)27-15-8-4-2-6-12(15)20(25)26/h2,4,6,8,16H,1,3,5,7,9H2,(H,25,26)
InChIKey IQZYBWBKTMTKHW-UHFFFAOYSA-N
Mol Weight 412.48 g/mol
Molecular Formula C20H16N2O4S2
Exact Mass 412.055149 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9lEzJQdwArj
Name benzoic acid, 2-[[1-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-2,5-dioxo-3-pyrrolidinyl]thio]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H16N2O4S2/c21-10-13-11-5-1-3-7-14(11)28-19(13)22-17(23)9-16(18(22)24)27-15-8-4-2-6-12(15)20(25)26/h2,4,6,8,16H,1,3,5,7,9H2,(H,25,26)
InChIKey IQZYBWBKTMTKHW-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_1279
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: F08346; Labnumber: DRAP-00735