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Neryl linolenate
SpectraBase Compound ID LUT5EL0uZbz
InChI InChI=1S/C28H46O2/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/h6-7,9-10,12-13,21,24H,5,8,11,14-20,22-23,25H2,1-4H3/b7-6-,10-9-,13-12-,27-24-
InChIKey XGCMITBQDORUDF-ARVHTFCVSA-N
Mol Weight 414.7 g/mol
Molecular Formula C28H46O2
Exact Mass 414.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1M3BraE0cg
Name Neryl linolenate
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O2
GC Oven Program Oven temp 290oC, split/splitless injector
InChI InChI=1S/C28H46O2/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/h6-7,9-10,12-13,21,24H,5,8,11,14-20,22-23,25H2,1-4H3/b7-6-,10-9-,13-12-,27-24-
InChIKey XGCMITBQDORUDF-ARVHTFCVSA-N
Instrument Name Agilent GC 7890A-inert MSD 5975C
Ionization Type EI
Literature Reference DOI 10.1002/ffj.3692
Molecular Weight 414.674 g/mol
SMILES C(OC\C=C\(C)CCC=C(C)C)(CCCCCCC\C=C/C\C=C/C\C=C/CC)=O
SPLASH splash10-00l6-9200000000-10caf705f69e48a0a216
Source of Spectrum FF-37-SM4-Neryl linolenate
Wiley ID 1876258