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4-phenylbutanoic acid phenyl ester

View entire compound with spectra: 1 MS (GC)

4-phenylbutanoic acid phenyl ester
SpectraBase Compound ID 5rnztgSJSLo
InChI InChI=1S/C16H16O2/c17-16(18-15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2
InChIKey XZCCEQCTCJOBTK-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FE8K7hL99Pp
Name 4-phenylbutanoic acid phenyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2
InChI InChI=1S/C16H16O2/c17-16(18-15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2
InChIKey XZCCEQCTCJOBTK-UHFFFAOYSA-N
Molecular Weight 240.302 g/mol
SMILES C(CCCc1ccccc1)(=O)Oc1ccccc1
SPLASH splash10-0002-0920000000-f617a612c973dd4ce012
Source of Spectrum F-53-7852-33
Synonyms 4-phenylbutyric acid phenyl ester phenyl 4-phenylbutanoate
Wiley ID 802289