| SpectraBase Spectrum ID |
9qUMYSZPZu9 |
| Name |
Benzoic acid, 4-propyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.365430784 u |
| Formula |
C28H48O2 |
| InChI |
InChI=1S/C28H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-30-28(29)27-23-21-26(20-4-2)22-24-27/h21-24H,3-20,25H2,1-2H3 |
| InChIKey |
UQRXHEITCLHTAO-UHFFFAOYSA-N |
| Molecular Weight |
416.690 g/mol |
| SMILES |
C(OCCCCCCCCCCCCCCCCCC)(=O)C1=CC=C(CCC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914393 |
