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5-Hydroxy-3-keto-5-phenyl-valeric acid methyl ester

View entire compound with spectra: 1 MS (GC)

5-Hydroxy-3-keto-5-phenyl-valeric acid methyl ester
SpectraBase Compound ID 8KhWlk3Ms6V
InChI InChI=1S/C12H14O4/c1-16-12(15)8-10(13)7-11(14)9-5-3-2-4-6-9/h2-6,11,14H,7-8H2,1H3
InChIKey QNJDSGDMHFINPN-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cj7mJehuria
Name 5-Hydroxy-3-keto-5-phenyl-valeric acid methyl ester
CAS Registry Number 53063-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-16-12(15)8-10(13)7-11(14)9-5-3-2-4-6-9/h2-6,11,14H,7-8H2,1H3
InChIKey QNJDSGDMHFINPN-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES OC(CC(CC(=O)OC)=O)c1ccccc1
SPLASH splash10-0a4i-8910000000-300281bef8a5c7d39c19
Source of Spectrum I-52-2161-4
Synonyms 5-Hydroxy-3-oxo-5-phenylpentanoic acid methyl ester Methyl 5-hydroxy-3-oxo-5-phenyl-pentanoate Methyl 5-oxidanyl-3-oxidanylidene-5-phenyl-pentanoate
Wiley ID 1222213