| SpectraBase Spectrum ID |
E2tNUe1Stl2 |
| Name |
Benzoic acid, 2,4-dimethyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.334130655 u |
| Formula |
C26H44O2 |
| InChI |
InChI=1S/C26H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-26(27)25-20-19-23(2)22-24(25)3/h19-20,22H,4-18,21H2,1-3H3 |
| InChIKey |
FZPZTZQLZVYEGF-UHFFFAOYSA-N |
| Molecular Weight |
388.636 g/mol |
| SMILES |
C(C1=CC=C(C=C1C)C)(=O)OCCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913308 |
