| SpectraBase Spectrum ID |
GwJkehR1HLn |
| Name |
Benzenepropanoic acid, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.255880333 u |
| Formula |
C21H34O2 |
| InChI |
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-14-19-23-21(22)18-17-20-15-12-11-13-16-20/h11-13,15-16H,2-10,14,17-19H2,1H3 |
| InChIKey |
ZOKHYZTWHSXALP-UHFFFAOYSA-N |
| Molecular Weight |
318.501 g/mol |
| SMILES |
C1=CC(CCC(OCCCCCCCCCCCC)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972141 |
