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Benzenepentanoic acid, 4-methoxy-.beta.,.delta.-dioxo-, methyl ester
SpectraBase Compound ID 5J3bitcb2hi
InChI InChI=1S/C13H14O5/c1-17-11-5-3-9(4-6-11)12(15)7-10(14)8-13(16)18-2/h3-6H,7-8H2,1-2H3
InChIKey NAZWURQNMUDKDZ-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7EkPn0ux6Z
Name Benzenepentanoic acid, 4-methoxy-.beta.,.delta.-dioxo-, methyl ester
CAS Registry Number 36568-14-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-17-11-5-3-9(4-6-11)12(15)7-10(14)8-13(16)18-2/h3-6H,7-8H2,1-2H3
InChIKey NAZWURQNMUDKDZ-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES COc1ccc(cc1)C(CC(CC(=O)OC)=O)=O
SPLASH splash10-00mx-5920000000-6352a12f19924353bcca
Source of Spectrum I-52-1350-11
Synonyms Methyl 5-(4-methoxyphenyl)-3,5-dioxopentanoate 3,5-Diketo-5-(4-methoxyphenyl)valeric acid methyl ester 5-(4-Methoxyphenyl)-3,5-dioxopentanoic acid methyl ester Methyl 5-(4-methoxyphenyl)-3,5-bis(oxidanylidene)pentanoate
Wiley ID 1253062