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Propanoic acid, 3-[5-(3-methoxy-3-oxopropyl)-2-pyrazinyl]-, methyl ester
SpectraBase Compound ID CYkTA5WU5KU
InChI InChI=1S/C12H16N2O4/c1-17-11(15)5-3-9-7-14-10(8-13-9)4-6-12(16)18-2/h7-8H,3-6H2,1-2H3
InChIKey CAVDNRICPLKYEH-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C12H16N2O4
Exact Mass 252.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuPv8hdHsUV
Name Propanoic acid, 3-[5-(3-methoxy-3-oxopropyl)-2-pyrazinyl]-, methyl ester
CAS Registry Number 77479-01-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O4
InChI InChI=1S/C12H16N2O4/c1-17-11(15)5-3-9-7-14-10(8-13-9)4-6-12(16)18-2/h7-8H,3-6H2,1-2H3
InChIKey CAVDNRICPLKYEH-UHFFFAOYSA-N
Molecular Weight 252.270 g/mol
SMILES c1(ncc(nc1)CCC(OC)=O)CCC(=O)OC
SPLASH splash10-0006-2930000000-6d837dc5e0124cba91b6
Synonyms 3-[5-(3-keto-3-methoxy-propyl)pyrazin-2-yl]propionic acid methyl ester 3-[5-(3-methoxy-3-oxopropyl)-2-pyrazinyl]propanoic acid methyl ester Methyl 3-[5-(3-methoxy-3-oxidanylidene-propyl)pyrazin-2-yl]propanoate Methyl 3-[5-(3-methoxy-3-oxo-propyl)pyrazin-2-yl]propanoate
Wiley ID 1477351