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Thiomorpholine-1-carbodithioic acid 3-cyano-3,3-diphenylpropyl ester
SpectraBase Compound ID L7tvIKe54yB
InChI InChI=1S/C21H22N2S3/c22-17-21(18-7-3-1-4-8-18,19-9-5-2-6-10-19)11-14-26-20(24)23-12-15-25-16-13-23/h1-10H,11-16H2
InChIKey DTNKLASJNULEPU-UHFFFAOYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C21H22N2S3
Exact Mass 398.094512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6nRAPmncbA
Name Thiomorpholine-1-carbodithioic acid 3-cyano-3,3-diphenylpropyl ester
Alternate Name(s) 3-Cyano-3,3-diphenylpropyl thiomorpholine-4-carbodithioate 4-Thiomorpholinecarbodithioic acid (3-cyano-3,3-diphenylpropyl) ester (3-cyano-3,3-diphenylpropyl) thiomorpholine-4-carbodithioate (3-cyano-3,3-diphenyl-propyl) thiomorpholine-4-carbodithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2S3
InChI InChI=1S/C21H22N2S3/c22-17-21(18-7-3-1-4-8-18,19-9-5-2-6-10-19)11-14-26-20(24)23-12-15-25-16-13-23/h1-10H,11-16H2
InChIKey DTNKLASJNULEPU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000259
Molecular Weight 398.601 g/mol
SMILES C(CSC(N1CCSCC1)=S)C(c1ccccc1)(C#N)c1ccccc1
SPLASH splash10-0002-0900000000-6cdea76a9ad9e8bd695c
Source of Spectrum APC-344-326-3a
Wiley ID 1769246