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4-Pyrimidineacetic acid, hexahydro-1,3-dimethyl-2-oxo-, methyl ester, (.+-.)-
SpectraBase Compound ID 1ODoln5rLJ6
InChI InChI=1S/C9H16N2O3/c1-10-5-4-7(6-8(12)14-3)11(2)9(10)13/h7H,4-6H2,1-3H3
InChIKey DWTYQRBAZLCLFD-UHFFFAOYSA-N
Mol Weight 200.24 g/mol
Molecular Formula C9H16N2O3
Exact Mass 200.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EFNWUhszD2
Name 4-Pyrimidineacetic acid, hexahydro-1,3-dimethyl-2-oxo-, methyl ester, (.+-.)-
Alternate Name(s) 1,3-Dimethyl-4[(methoxycarbonyl)methyl]-3,4,5,6-tetrahydro-2-(1H)-pyrimidinone methyl (1,3-dimethyl-2-oxohexahydro-4-pyrimidinyl)acetate
CAS Registry Number 114445-08-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16N2O3
InChI InChI=1S/C9H16N2O3/c1-10-5-4-7(6-8(12)14-3)11(2)9(10)13/h7H,4-6H2,1-3H3
InChIKey DWTYQRBAZLCLFD-UHFFFAOYSA-N
Molecular Weight 200.238 g/mol
SMILES C1(N(C(CC(=O)OC)CCN1C)C)=O
SPLASH splash10-004i-0920000000-d808815e60860e6b20fb
Source of Spectrum C-110-4000-0
Wiley ID 1197287