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5-Pyrimidinecarboxylic acid, 4-(chloromethyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, methyl ester, (S)-
SpectraBase Compound ID AAAeE8kJeJG
InChI InChI=1S/C8H11ClN2O3/c1-4-6(7(12)14-2)5(3-9)11-8(13)10-4/h5H,3H2,1-2H3,(H2,10,11,13)/t5-/m1/s1
InChIKey BDGVDLIAIQNIRV-RXMQYKEDSA-N
Mol Weight 218.64 g/mol
Molecular Formula C8H11ClN2O3
Exact Mass 218.04582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0jGLIJ0d4y
Name 5-Pyrimidinecarboxylic acid, 4-(chloromethyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, methyl ester, (S)-
Alternate Name(s) Methyl (4S)-4-(chloromethyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate Methyl 4-chloromethyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-pyrimidine-5-carboxylate
CAS Registry Number 64612-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11ClN2O3
InChI InChI=1S/C8H11ClN2O3/c1-4-6(7(12)14-2)5(3-9)11-8(13)10-4/h5H,3H2,1-2H3,(H2,10,11,13)/t5-/m1/s1
InChIKey BDGVDLIAIQNIRV-RXMQYKEDSA-N
Molecular Weight 218.640 g/mol
SMILES N1C(N[C@@](C(=C1C)C(=O)OC)(CCl)[H])=O
SPLASH splash10-014r-0900000000-2d0c3ff0b10b696f9b90
Source of Spectrum I-55-901-0
Wiley ID 1217021