| SpectraBase Spectrum ID |
1HQuYE1XrRO |
| Name |
4,7,10-Hexadecatrienoic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.208930140 u |
| Formula |
C17H28O2 |
| InChI |
InChI=1S/C17H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h7-8,10-11,13-14H,3-6,9,12,15-16H2,1-2H3/b8-7+,11-10+,14-13+ |
| InChIKey |
QXIXLIQMMRFWPB-SPOHZTNBSA-N |
| Molecular Weight |
264.409 g/mol |
| SMILES |
C(\C=C\CCC(OC)=O)\C=C\C\C=C\CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836021 |
