SpectraBase Spectrum ID |
BNgPoRGTcu5 |
Name |
Oct-2-ynoate |
Source of Sample |
SAFC Cat. #W272906 |
CAS Registry Number |
111-12-6 |
Classification |
Fatty esters; Fatty acid methyl esters |
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 |
154.099379689 u |
Formula |
C9H14O2 |
InChI |
InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3 |
InChIKey |
FRLZQXRXIKQFNS-UHFFFAOYSA-N |
Molecular Weight |
154.209 g/mol |
Number of Peaks |
86 |
RI4 |
1202 |
RI5 |
880 |
SMILES |
C(C#CCCCCC)(=O)OC |
SPLASH |
splash10-00kg-9100000000-eadfe3eb1f25575c6d76 |
Sample Comments |
RI1: measured on Equity-1 (Alkanes)
RI2: measured on Supelcowax-10 (FAMEs)
RI3: measured on Supelcowax-10 (FAEEs)
RI4: measured on SLB-5ms (Alkanes)
RI5: measured on SLB-5ms (FAMEs) |
Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
Synonyms |
2-Octynoic acid, methyl ester |
Wiley ID |
LM_LIPIDS2016_368 |