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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 EiSyiLv2PiO
Name 3-Phenylpropyl butyrate
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
Ionization Type EI-B
Molecular Weight 206.285 g/mol
SMILES CCCC(=O)OCCCc1ccccc1
SPLASH splash10-014i-6900000000-f0baf07b16566c201abc
Source of Spectrum SRH-2022-6959-0
Wiley ID 1828760