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3-Phenylpropyl pentanoate

View entire compound with spectra: 1 MS (GC)

3-Phenylpropyl pentanoate
SpectraBase Compound ID LgnMCAVE3vw
InChI InChI=1S/C14H20O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChIKey OKFJJLRWQHMYCM-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CTebwyMqf
Name 3-Phenylpropyl pentanoate
Alternate Name(s) Pentanoic acid, 3-phenylpropyl ester Valeric acid, 3-phenylpropyl ester Pentanoic acid 3-phenylpropyl ester
CAS Registry Number 5451-88-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChIKey OKFJJLRWQHMYCM-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES c1(ccccc1)CCCOC(CCCC)=O
SPLASH splash10-014i-2900000000-78b679ed1bd7e43c12fd
Source of Spectrum NP-5-2977-0
Wiley ID 1104761