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4-Pyrimidineacetic acid, hexahydro-.alpha.,3-dimethyl-1-(1-methylethyl)-2-oxo-, methyl ester, (R*,S*)-(.+-.)-
SpectraBase Compound ID Byx4sP2ktP5
InChI InChI=1S/C12H22N2O3/c1-8(2)14-7-6-10(13(4)12(14)16)9(3)11(15)17-5/h8-10H,6-7H2,1-5H3/t9-,10+/m0/s1
InChIKey SSTIWSHSHLNUGK-VHSXEESVSA-N
Mol Weight 242.32 g/mol
Molecular Formula C12H22N2O3
Exact Mass 242.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7u2xXGoQyfa
Name 4-Pyrimidineacetic acid, hexahydro-.alpha.,3-dimethyl-1-(1-methylethyl)-2-oxo-, methyl ester, (R*,S*)-(.+-.)-
Alternate Name(s) 1-Isopropyl-3-methyl-4(S)-[(1r')-(methoxycarbonyl)ethyl]-3,4,5,6-tetrahydro-2(1H)-pyrimidinone Methyl (2S)-2-[(4R)-1-isopropyl-3-methyl-2-oxohexahydro-4-pyrimidinyl]propanoate
CAS Registry Number 114445-22-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22N2O3
InChI InChI=1S/C12H22N2O3/c1-8(2)14-7-6-10(13(4)12(14)16)9(3)11(15)17-5/h8-10H,6-7H2,1-5H3/t9-,10+/m0/s1
InChIKey SSTIWSHSHLNUGK-VHSXEESVSA-N
Molecular Weight 242.319 g/mol
SMILES C1(N([C@@]([C@@](C(=O)OC)(C)[H])(CCN1C(C)C)[H])C)=O
SPLASH splash10-0a4i-0910000000-c4769895ac74cd5aff05
Source of Spectrum C-110-4000-0
Wiley ID 1244863