| SpectraBase Spectrum ID |
ItSCG2Y1PLY |
| Name |
9-Hexadecenoic acid, 9-hexadecenyl ester, (Z,Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
476.459331170 u |
| Formula |
C32H60O2 |
| InChI |
InChI=1S/C32H60O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16H,3-12,17-31H2,1-2H3/b15-13-,16-14- |
| InChIKey |
PKUDBCXTPWBBHG-VMNXYWKNSA-N |
| Molecular Weight |
476.830 g/mol |
| SMILES |
CCCCCC\C=C/CCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955447 |
