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Phenylethyl heneicosanoate
SpectraBase Compound ID EDR4cVgDsdw
InChI InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29(30)31-27-26-28-23-20-19-21-24-28/h19-21,23-24H,2-18,22,25-27H2,1H3
InChIKey SMVJYCSPSWBWIV-UHFFFAOYSA-N
Mol Weight 430.7 g/mol
Molecular Formula C29H50O2
Exact Mass 430.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21Dm8md00FL
Name Phenylethyl heneicosanoate
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O2
GC Oven Program Oven temp 290oC, split/splitless injector
InChI InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29(30)31-27-26-28-23-20-19-21-24-28/h19-21,23-24H,2-18,22,25-27H2,1H3
InChIKey SMVJYCSPSWBWIV-UHFFFAOYSA-N
Instrument Name Agilent GC 7890A-inert MSD 5975C
Ionization Type EI
Literature Reference DOI 10.1002/ffj.3692
Molecular Weight 430.717 g/mol
SMILES c1cc(ccc1)CCOC(CCCCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-0udi-1900000000-ec5c3f831f77e9778983
Source of Spectrum FF-37-SM6-6-2
Wiley ID 1876253