For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-,3-Dibenzyl-2-(2-(methylthio)-4,4-dimethyl-6-thioxocyclohex-2-enylidene)hexahydropyrimidine
SpectraBase Compound ID 3afy0X2lqTF
InChI InChI=1S/C27H32N2S2/c1-27(2)18-24(23-16-10-11-17-25(23)30)28(19-21-12-6-4-7-13-21)26(31-3)29(27)20-22-14-8-5-9-15-22/h4-10,12-16,26H,11,17-20H2,1-3H3/b24-23+
InChIKey CPZVYMDBCNGZOB-WCWDXBQESA-N
Mol Weight 448.7 g/mol
Molecular Formula C27H32N2S2
Exact Mass 448.200691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 16eAMu6tFEo
Name 1-,3-Dibenzyl-2-(2-(methylthio)-4,4-dimethyl-6-thioxocyclohex-2-enylidene)hexahydropyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32N2S2
InChI InChI=1S/C27H32N2S2/c1-27(2)18-24(23-16-10-11-17-25(23)30)28(19-21-12-6-4-7-13-21)26(31-3)29(27)20-22-14-8-5-9-15-22/h4-10,12-16,26H,11,17-20H2,1-3H3/b24-23+
InChIKey CPZVYMDBCNGZOB-WCWDXBQESA-N
Molecular Weight 448.687 g/mol
SMILES C1(\C(=C\2N(C(N(C(C2)(C)C)Cc2ccccc2)SC)Cc2ccccc2)C=CCC1)=S
SPLASH splash10-0006-9100100000-d57c4565c3f56c8bd8df
Source of Spectrum J-56-1905-5
Synonyms (2E)-2-(1,3-dibenzyl-6,6-dimethyl-2-(methylsulfanyl)tetrahydro-4(1H)-pyrimidinylidene)-3-cyclohexene-1-thione
Wiley ID 1387277