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4-[4-(Isopentyloxy)phenyl]-4-oxobutanoic acid
SpectraBase Compound ID G8GUMO81hyl
InChI InChI=1S/C15H20O4/c1-11(2)9-10-19-13-5-3-12(4-6-13)14(16)7-8-15(17)18/h3-6,11H,7-10H2,1-2H3,(H,17,18)
InChIKey USJMRODZZPBXFA-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79iFCRrAWNd
Name 4-[4-(Isopentyloxy)phenyl]-4-oxobutanoic acid
CAS Registry Number 339289-36-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-11(2)9-10-19-13-5-3-12(4-6-13)14(16)7-8-15(17)18/h3-6,11H,7-10H2,1-2H3,(H,17,18)
InChIKey USJMRODZZPBXFA-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES OC(CCC(c1ccc(cc1)OCCC(C)C)=O)=O
SPLASH splash10-006x-9600000000-db72273cdd76741bb53e
Source of Spectrum AD-0-2532-0
Synonyms 4-(4-isoamoxyphenyl)-4-keto-butyric acid 4-[4-(3-methylbutoxy)phenyl]-4-oxidanylidene-butanoic acid 4-[4-(3-methylbutoxy)phenyl]-4-oxobutanoic acid 4-[4-(Isopentyloxy)phenyl]-4-oxobutyric acid
Wiley ID 1422187