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Methyl trans-2-octenoate
SpectraBase Compound ID 6BBZhwH98h
InChI InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKey CJBQSBZJDJHMLF-BQYQJAHWSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gpl5iobuwz
Name Oct-(2E)-enoate <2-methyl->
Source of Sample SAFC Cat.no. W371203
CAS Registry Number 7367-81-9
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 156.115029753 u
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKey CJBQSBZJDJHMLF-BQYQJAHWSA-N
Molecular Weight 156.225 g/mol
Number of Peaks 50
RI1 1172
RI2 850
SMILES C(\C=C\CCCCC)(=O)OC
SPLASH splash10-0a4u-9100000000-4b0178f47dbe4f63946a
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2-Octenoic acid, methyl ester, (2E)-
Wiley ID LM_FFNSC3_812