| SpectraBase Spectrum ID |
7snuQ40LeYG |
| Name |
p-Anisic acid, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.313395209 u |
| Formula |
C25H42O3 |
| InChI |
InChI=1S/C25H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-25(26)23-18-20-24(27-2)21-19-23/h18-21H,3-17,22H2,1-2H3 |
| InChIKey |
LNFOOKZBMMGPBM-UHFFFAOYSA-N |
| Molecular Weight |
390.608 g/mol |
| SMILES |
C(OCCCCCCCCCCCCCCCCC)(=O)C1=CC=C(OC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893152 |
