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2,4-Diketo-1H-pyrimidine-5-carboxylic acid butyl ester

View entire compound with spectra: 1 MS (GC)

2,4-Diketo-1H-pyrimidine-5-carboxylic acid butyl ester
SpectraBase Compound ID IfO1zgmtOoR
InChI InChI=1S/C9H12N2O4/c1-2-3-4-15-8(13)6-5-10-9(14)11-7(6)12/h5H,2-4H2,1H3,(H2,10,11,12,14)
InChIKey ZDLHWPASWYGIFB-UHFFFAOYSA-N
Mol Weight 212.21 g/mol
Molecular Formula C9H12N2O4
Exact Mass 212.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pmR1rD9ykw
Name 2,4-Diketo-1H-pyrimidine-5-carboxylic acid butyl ester
Alternate Name(s) 2,4-Dioxo-1H-pyrimidine-5-carboxylic acid butyl ester Butyl 2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylate Butyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O4
InChI InChI=1S/C9H12N2O4/c1-2-3-4-15-8(13)6-5-10-9(14)11-7(6)12/h5H,2-4H2,1H3,(H2,10,11,12,14)
InChIKey ZDLHWPASWYGIFB-UHFFFAOYSA-N
Molecular Weight 212.205 g/mol
SMILES N1C(NC=C(C1=O)C(=O)OCCCC)=O
SPLASH splash10-0cdr-6900000000-a24091728ba641ee442c
Wiley ID 1451761