| SpectraBase Spectrum ID |
8CZ83ziyMu4 |
| Name |
Trans-2-methoxycinnamic acid, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.329045274 u |
| Formula |
C27H44O3 |
| InChI |
InChI=1S/C27H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-30-27(28)23-22-25-20-17-18-21-26(25)29-2/h17-18,20-23H,3-16,19,24H2,1-2H3/b23-22+ |
| InChIKey |
IPPCXHGMHOWNSD-GHVJWSGMSA-N |
| Molecular Weight |
416.646 g/mol |
| SMILES |
C(OCCCCCCCCCCCCCCCCC)(=O)\C=C\C1=C(OC)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905459 |
