| SpectraBase Spectrum ID |
1Po3l8KD1NR |
| Name |
Benzoic acid, 4-propyl-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.271530397 u |
| Formula |
C22H36O2 |
| InChI |
InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-19-24-22(23)21-17-15-20(14-4-2)16-18-21/h15-18H,3-14,19H2,1-2H3 |
| InChIKey |
RWJAEWLXWYZUAT-UHFFFAOYSA-N |
| Molecular Weight |
332.528 g/mol |
| SMILES |
C(OCCCCCCCCCCCC)(=O)C1=CC=C(CCC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950919 |
