| SpectraBase Spectrum ID |
8LzlIkwpAow |
| Name |
3-Phenylpropanoic acid, 4-hexadecyl 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/c1-3-5-6-7-8-9-10-11-12-16-20-24(17-4-2)27-25(26)22-21-23-18-14-13-15-19-23/h13-15,18-19,24H,3-12,16-17,20-22H2,1-2H3 |
| InChIKey |
QOGNNOHCVJFEEM-UHFFFAOYSA-N |
| Molecular Weight |
374.609 g/mol |
| SMILES |
C(CCCCCCCC)CCCC(CCC)OC(=O)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902399 |
