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Diethyl N-[(3-benzylthiazolidin-2-ylidene)cyanomethyl]bicarbamate
SpectraBase Compound ID FHdB5uLEfNd
InChI InChI=1S/C18H22N4O4S/c1-3-25-17(23)20-22(18(24)26-4-2)15(12-19)16-21(10-11-27-16)13-14-8-6-5-7-9-14/h5-9H,3-4,10-11,13H2,1-2H3,(H,20,23)/b16-15+
InChIKey DYYXWBLYEYMUDV-FOCLMDBBSA-N
Mol Weight 390.46 g/mol
Molecular Formula C18H22N4O4S
Exact Mass 390.136176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbotaJxsP8P
Name Diethyl N-[(3-benzylthiazolidin-2-ylidene)cyanomethyl]bicarbamate
Alternate Name(s) Diethyl 1-[(E)-(3-benzyl-1,3-thiazolidin-2-ylidene)(cyano)methyl]-1,2-hydrazinedicarboxylate
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Formula C18H22N4O4S
InChI InChI=1S/C18H22N4O4S/c1-3-25-17(23)20-22(18(24)26-4-2)15(12-19)16-21(10-11-27-16)13-14-8-6-5-7-9-14/h5-9H,3-4,10-11,13H2,1-2H3,(H,20,23)/b16-15+
InChIKey DYYXWBLYEYMUDV-FOCLMDBBSA-N
Molecular Weight 390.458 g/mol
SMILES N(N(\C(=C/1N(Cc2ccccc2)CCS1)C#N)C(=O)OCC)C(=O)OCC
SPLASH splash10-0006-9001000000-7943544733d627151401
Source of Spectrum H1-45-1092-4
Wiley ID 758329