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5-Pyrimidinecarboxylic acid, 4-(chloromethyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester, (S)-
SpectraBase Compound ID HNZMYRlhZVM
InChI InChI=1S/C9H13ClN2O3/c1-3-15-8(13)7-5(2)11-9(14)12-6(7)4-10/h6H,3-4H2,1-2H3,(H2,11,12,14)/t6-/m1/s1
InChIKey LNXYTDACAVHJLJ-ZCFIWIBFSA-N
Mol Weight 232.67 g/mol
Molecular Formula C9H13ClN2O3
Exact Mass 232.06147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cehyD28SS5
Name 5-Pyrimidinecarboxylic acid, 4-(chloromethyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester, (S)-
CAS Registry Number 64612-95-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13ClN2O3
InChI InChI=1S/C9H13ClN2O3/c1-3-15-8(13)7-5(2)11-9(14)12-6(7)4-10/h6H,3-4H2,1-2H3,(H2,11,12,14)/t6-/m1/s1
InChIKey LNXYTDACAVHJLJ-ZCFIWIBFSA-N
Molecular Weight 232.667 g/mol
SMILES N1C(N[C@@](C(=C1C)C(=O)OCC)(CCl)[H])=O
SPLASH splash10-001i-1900000000-ff5120be0be5b038d601
Source of Spectrum I-55-901-0
Synonyms Ethyl (4S)-4-(chloromethyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate Ethyl 4-chloromethyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-pyrimidine-5-carboxylate (4S)-4-(chloromethyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl (4S)-4-(chloromethyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl (4S)-4-(chloromethyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Wiley ID 1233250