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Octyl (9E,12E)-9,12-octadecadienoate

View entire compound with spectra: 1 MS (GC)

Octyl (9E,12E)-9,12-octadecadienoate
SpectraBase Compound ID HMqnKM18tUu
InChI InChI=1S/C26H48O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2/h11-12,14-15H,3-10,13,16-25H2,1-2H3/b12-11+,15-14+
InChIKey WFMGDEZKUZALGX-TVYVBBRWSA-N
Mol Weight 392.7 g/mol
Molecular Formula C26H48O2
Exact Mass 392.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBegS0sTY
Name Octyl (9E,12E)-9,12-octadecadienoate
Alternate Name(s) (9E,12E)-octadeca-9,12-dienoic acid octyl ester 9,12-Octadecadienoic acid (Z,Z)-, octyl ester Octyl (9E,12E)-octadeca-9,12-dienoate
CAS Registry Number 64022-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H48O2
InChI InChI=1S/C26H48O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2/h11-12,14-15H,3-10,13,16-25H2,1-2H3/b12-11+,15-14+
InChIKey WFMGDEZKUZALGX-TVYVBBRWSA-N
Molecular Weight 392.668 g/mol
SMILES CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCCCCCCCC
SPLASH splash10-0ac3-9430000000-7dc3ab26e930034d0a1a
Wiley ID 1487471