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Octadec-(13Z)-enal
SpectraBase Compound ID A2CskbL3Z3n
InChI InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,18H,2-4,7-17H2,1H3/b6-5-
InChIKey QIRGIHPYVVKWTO-WAYWQWQTSA-N
Mol Weight 266.5 g/mol
Molecular Formula C18H34O
Exact Mass 266.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mBmP4nS8nD
Name Octadec-(13Z)-enal
Source of Sample Bedoukian Pheromones; www.bedoukian.com
CAS Registry Number 58594-45-9
Classification Pheromones
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 266.260965714 u
Formula C18H34O
InChI InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,18H,2-4,7-17H2,1H3/b6-5-
InChIKey QIRGIHPYVVKWTO-WAYWQWQTSA-N
Molecular Weight 266.469 g/mol
Number of Peaks 187
RI1 2010
SMILES C(CCCCCCCCCCC\C=C/CCCC)=O
SPLASH splash10-05o4-9100000000-7453b5ca88d1ee57cad3
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 13-Octadecenal, (13Z)-
Wiley ID LM_PEST_1099