| SpectraBase Spectrum ID |
4gTgD8WeByu |
| Name |
Oct-2-ynoate |
| Source of Sample |
SAFC Cat. #W272906 |
| CAS Registry Number |
111-12-6 |
| Classification |
Fatty esters; Fatty acid methyl esters |
| Copyright |
Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| Number of Peaks |
86 |
| RI4 |
1202 |
| RI5 |
880 |
| SMILES |
C(C#CCCCCC)(=O)OC |
| SPLASH |
splash10-00kg-9100000000-eadfe3eb1f25575c6d76 |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
2-Octynoic acid, methyl ester |
| Wiley ID |
LM_LIPIDS2016_368 |
