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3,5-Dioxopiperazine-1-carbodithioic acid 3-cyano-3,3-diphenylpropyl ester
SpectraBase Compound ID AUC7y5tfIG8
InChI InChI=1S/C21H19N3O2S2/c22-15-21(16-7-3-1-4-8-16,17-9-5-2-6-10-17)11-12-28-20(27)24-13-18(25)23-19(26)14-24/h1-10H,11-14H2,(H,23,25,26)
InChIKey BTNNJANVQMZWSO-UHFFFAOYSA-N
Mol Weight 409.52 g/mol
Molecular Formula C21H19N3O2S2
Exact Mass 409.091869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HH0IYvlHmIm
Name 3,5-Dioxopiperazine-1-carbodithioic acid 3-cyano-3,3-diphenylpropyl ester
Alternate Name(s) 3-Cyano-3,3-diphenylpropyl 3,5-dioxopiperazine-1-carbodithioate 3,5-Dioxo-1-piperazinecarbodithioic acid (3-cyano-3,3-diphenylpropyl) ester (3-cyano-3,3-diphenylpropyl) 3,5-dioxopiperazine-1-carbodithioate (3-cyano-3,3-diphenyl-propyl) 3,5-dioxopiperazine-1-carbodithioate (3-cyano-3,3-diphenyl-propyl) 3,5-bis(oxidanylidene)piperazine-1-carbodithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N3O2S2
InChI InChI=1S/C21H19N3O2S2/c22-15-21(16-7-3-1-4-8-16,17-9-5-2-6-10-17)11-12-28-20(27)24-13-18(25)23-19(26)14-24/h1-10H,11-14H2,(H,23,25,26)
InChIKey BTNNJANVQMZWSO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000259
Molecular Weight 409.522 g/mol
SMILES N1C(CN(CC1=O)C(SCCC(c1ccccc1)(C#N)c1ccccc1)=S)=O
SPLASH splash10-052f-2910000000-d667e17b61cae94d5963
Source of Spectrum APC-344-328-3l
Wiley ID 1769248