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Phenylethyl heptanoate
SpectraBase Compound ID KFNaVQKcYfH
InChI InChI=1S/C15H22O2/c1-2-3-4-8-11-15(16)17-13-12-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3
InChIKey YMPDQHXHLKFWNN-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ucK8d5F8
Name Phenylethyl heptanoate
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
GC Oven Program Oven temp 290oC, split/splitless injector
InChI InChI=1S/C15H22O2/c1-2-3-4-8-11-15(16)17-13-12-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3
InChIKey YMPDQHXHLKFWNN-UHFFFAOYSA-N
Instrument Name Agilent GC 7890A-inert MSD 5975C
Ionization Type EI
Literature Reference DOI 10.1002/ffj.3692
Molecular Weight 234.339 g/mol
SMILES c1cc(ccc1)CCOC(CCCCCC)=O
SPLASH splash10-0udi-2900000000-52713dd2fbfea6bc28ab
Source of Spectrum FF-37-SM1-1-1
Wiley ID 1876246