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4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6-hydroxy-4-oxo-, ethyl ester
SpectraBase Compound ID 4Vi9ROXzZWV
InChI InChI=1S/C12H12N2O4/c1-2-18-11(16)6-8-7-13-9-4-3-5-10(15)14(9)12(8)17/h3-5,7,15H,2,6H2,1H3
InChIKey JXXBRIKWBBNBTE-UHFFFAOYSA-N
Mol Weight 248.24 g/mol
Molecular Formula C12H12N2O4
Exact Mass 248.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1q7boJAnxYw
Name 4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6-hydroxy-4-oxo-, ethyl ester
Alternate Name(s) Ethyl (6-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acetate 3-carboethoxymethyl-6-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CAS Registry Number 64399-36-6
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O4
InChI InChI=1S/C12H12N2O4/c1-2-18-11(16)6-8-7-13-9-4-3-5-10(15)14(9)12(8)17/h3-5,7,15H,2,6H2,1H3
InChIKey JXXBRIKWBBNBTE-UHFFFAOYSA-N
Molecular Weight 248.238 g/mol
SMILES OC=1N2C(=O)C(CC(OCC)=O)=CN=C2C=CC1
SPLASH splash10-0f92-5980000000-94eea4212a781e8808b3
Source of Spectrum SS-5-97-0
Wiley ID 1250753