| SpectraBase Spectrum ID |
Im6qbqkjKdJ |
| Name |
9-Hexadecenoic acid, phenylmethyl ester, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.271530397 u |
| Formula |
C23H36O2 |
| InChI |
InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(24)25-21-22-18-15-14-16-19-22/h7-8,14-16,18-19H,2-6,9-13,17,20-21H2,1H3/b8-7- |
| InChIKey |
IMWOOTPWUMVXMQ-FPLPWBNLSA-N |
| Molecular Weight |
344.539 g/mol |
| SMILES |
CCCCCC\C=C/CCCCCCCC(OCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982331 |
