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

*Links on SpectraBase are not permalinks.
Ethyl 2-(6-methyl-2-thioxohexahydro-4-pyrimidinyl)-3-oxobutanoate
SpectraBase Compound ID 8DBzGZbA7vr
InChI InChI=1S/C11H18N2O3S/c1-4-16-10(15)9(7(3)14)8-5-6(2)12-11(17)13-8/h6,8-9H,4-5H2,1-3H3,(H2,12,13,17)
InChIKey SVHRODNXJMOHJT-UHFFFAOYSA-N
Mol Weight 258.34 g/mol
Molecular Formula C11H18N2O3S
Exact Mass 258.103814 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 7Va9y2b76Mh
Name Ethyl 2-(6-methyl-2-thioxohexahydro-4-pyrimidinyl)-3-oxobutanoate
CAS Registry Number 342394-50-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18N2O3S
InChI InChI=1S/C11H18N2O3S/c1-4-16-10(15)9(7(3)14)8-5-6(2)12-11(17)13-8/h6,8-9H,4-5H2,1-3H3,(H2,12,13,17)
InChIKey SVHRODNXJMOHJT-UHFFFAOYSA-N
Molecular Weight 258.336 g/mol
SMILES N1C(CC(NC1=S)C)C(C(=O)OCC)C(=O)C
SPLASH splash10-000f-9410000000-bcf88416fd66f87932f5
Source of Spectrum AD-0-2532-0
Synonyms 2-(6-Methyl-2-sulfanylidene-1,3-diazinan-4-yl)-3-oxobutanoic acid ethyl ester 3-keto-2-(6-methyl-2-thioxo-hexahydropyrimidin-4-yl)butyric acid ethyl ester Butanoic acid, 2-(hexahydro-6-methyl-2-thioxo-4-pyrimidinyl)-3-oxo-, ethyl ester Ethyl 2-(6-methyl-2-sulfanylidene-1,3-diazinan-4-yl)-3-oxidanylidene-butanoate Ethyl 2-(6-methyl-2-sulfanylidene-1,3-diazinan-4-yl)-3-oxobutanoate Ethyl 2-(6-methyl-2-thioxo-hexahydropyrimidin-4-yl)-3-oxo-butanoate
Wiley ID 1428132