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

*Links on SpectraBase are not permalinks.
Ethyl 2-(3,6-dimethyl-2-thioxohexahydro-4-pyrimidinyl)-3-oxo-3-phenylpropanoate
SpectraBase Compound ID 2rw2jB5sgAw
InChI InChI=1S/C17H22N2O3S/c1-4-22-16(21)14(15(20)12-8-6-5-7-9-12)13-10-11(2)18-17(23)19(13)3/h5-9,11,13-14H,4,10H2,1-3H3,(H,18,23)
InChIKey PDAAYELNVZNMEA-UHFFFAOYSA-N
Mol Weight 334.43 g/mol
Molecular Formula C17H22N2O3S
Exact Mass 334.135114 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 Fob91VYvImS
Name Ethyl 2-(3,6-dimethyl-2-thioxohexahydro-4-pyrimidinyl)-3-oxo-3-phenylpropanoate
CAS Registry Number 296243-35-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O3S
InChI InChI=1S/C17H22N2O3S/c1-4-22-16(21)14(15(20)12-8-6-5-7-9-12)13-10-11(2)18-17(23)19(13)3/h5-9,11,13-14H,4,10H2,1-3H3,(H,18,23)
InChIKey PDAAYELNVZNMEA-UHFFFAOYSA-N
Molecular Weight 334.434 g/mol
SMILES N1C(CC(N(C1=S)C)C(C(=O)c1ccccc1)C(=O)OCC)C
SPLASH splash10-0006-7900000000-958c3efba733d0191a7d
Source of Spectrum AD-0-2532-0
Synonyms 2-(3,6-dimethyl-2-sulfanylidene-1,3-diazinan-4-yl)-3-oxo-3-phenylpropanoic acid ethyl ester 2-(3,6-dimethyl-2-thioxo-hexahydropyrimidin-4-yl)-3-keto-3-phenyl-propionic acid ethyl ester Ethyl 2-(3,6-dimethyl-2-sulfanylidene-1,3-diazinan-4-yl)-3-oxidanylidene-3-phenyl-propanoate Ethyl 2-(3,6-dimethyl-2-sulfanylidene-1,3-diazinan-4-yl)-3-oxo-3-phenylpropanoate Ethyl 2-(3,6-dimethyl-2-thioxo-hexahydropyrimidin-4-yl)-3-oxo-3-phenyl-propanoate Propanoic acid, 2-(hexahydro-3,6-dimethyl-2-thioxo-4-pyrimidinyl)-3-oxo-3-phenyl-, ethyl ester
Wiley ID 1426611