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3-Phenylpropyl butanoate

View entire compound with spectra: 2 MS (GC)

3-Phenylpropyl butanoate
SpectraBase Compound ID 3P3wSVk1XFH
InChI InChI=1S/C13H18O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
InChIKey IWBHCESPSIQPME-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bAPoFihkVK
Name 3-Phenylpropyl butanoate
CAS Registry Number 7402-29-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
InChIKey IWBHCESPSIQPME-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES c1ccc(cc1)CCCOC(CCC)=O
SPLASH splash10-014i-3900000000-61de279963b2a05816d4
Source of Spectrum LQ-1992-1549-0
Synonyms 3-Phenylpropyl butyrate Butanoic acid 3-phenylpropyl ester Butyric acid 3-phenylpropyl ester Phenylpropyl butyrate Phenylpropyl n-butyrate
Wiley ID 1204703