| SpectraBase Spectrum ID |
EvWnzTUejyu |
| Name |
Phenylacetic acid, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.318480590 u |
| Formula |
C25H42O2 |
| InChI |
InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27-25(26)23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3 |
| InChIKey |
DSHRLMJFPDCFRY-UHFFFAOYSA-N |
| Molecular Weight |
374.609 g/mol |
| SMILES |
C(CCCCCCCCCCCC)CCCCOC(=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937247 |
