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Citronellyl linoleate
SpectraBase Compound ID BJXe2mCFea4
InChI InChI=1S/C28H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h9-10,12-13,21,27H,5-8,11,14-20,22-25H2,1-4H3/b10-9-,13-12-/t27-/m0/s1
InChIKey RHFFIMUAJDREAJ-DYMSMYCYSA-N
Mol Weight 418.7 g/mol
Molecular Formula C28H50O2
Exact Mass 418.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uo9wKm012
Name Citronellyl linoleate
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H50O2
GC Oven Program Oven temp 290oC, split/splitless injector
InChI InChI=1S/C28H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h9-10,12-13,21,27H,5-8,11,14-20,22-25H2,1-4H3/b10-9-,13-12-/t27-/m0/s1
InChIKey RHFFIMUAJDREAJ-DYMSMYCYSA-N
Instrument Name Agilent GC 7890A-inert MSD 5975C
Ionization Type EI
Literature Reference DOI 10.1002/ffj.3692
Molecular Weight 418.706 g/mol
SMILES C(C)(=CCC[C@](C)(CCOC(CCCCCCC\C=C/C\C=C/CCCCC)=O)[H])C
SPLASH splash10-00lr-9200000000-8e12f75e374dc13610e3
Source of Spectrum FF-37-SM4-Citronellyl linoleate
Wiley ID 1876256