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

*Links on SpectraBase are not permalinks.
1-[N-Acetylsulfanylyl]-2-[(4'-methylbenzoyl)methylene]-hexahydropyrimidine
SpectraBase Compound ID Fdrmb4r1Cm
InChI InChI=1S/C21H23N3O4S/c1-15-4-6-17(7-5-15)20(26)14-21-22-12-3-13-24(21)29(27,28)19-10-8-18(9-11-19)23-16(2)25/h4-11,14,22H,3,12-13H2,1-2H3,(H,23,25)/b21-14+
InChIKey JPXYWIBZFUPUDD-KGENOOAVSA-N
Mol Weight 413.49 g/mol
Molecular Formula C21H23N3O4S
Exact Mass 413.140927 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 L1cIfRTss1t
Name 1-[N-Acetylsulfanylyl]-2-[(4'-methylbenzoyl)methylene]-hexahydropyrimidine
Alternate Name(s) N-[4-[[(2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-diazinan-1-yl]sulfonyl]phenyl]acetamide N-[4-[(2E)-2-[2-oxo-2-(p-tolyl)ethylidene]hexahydropyrimidin-1-yl]sulfonylphenyl]acetamide N-[4-[[(2E)-2-[2-(4-methylphenyl)-2-oxidanylidene-ethylidene]-1,3-diazinan-1-yl]sulfonyl]phenyl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O4S
InChI InChI=1S/C21H23N3O4S/c1-15-4-6-17(7-5-15)20(26)14-21-22-12-3-13-24(21)29(27,28)19-10-8-18(9-11-19)23-16(2)25/h4-11,14,22H,3,12-13H2,1-2H3,(H,23,25)/b21-14+
InChIKey JPXYWIBZFUPUDD-KGENOOAVSA-N
Molecular Weight 413.492 g/mol
SMILES N1CCCN(S(c2ccc(NC(=O)C)cc2)(=O)=O)\C1=C/C(c1ccc(cc1)C)=O
SPLASH splash10-01b9-0849300000-63b07319f530b591f69f
Source of Spectrum SK-28-4245-5
Wiley ID 880229