| SpectraBase Spectrum ID |
C42cFjQDtMZ |
| Name |
o-Anisic acid, 5-tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.266445016 u |
| Formula |
C22H36O3 |
| InChI |
InChI=1S/C22H36O3/c1-4-6-8-9-10-11-12-16-19(15-7-5-2)25-22(23)20-17-13-14-18-21(20)24-3/h13-14,17-19H,4-12,15-16H2,1-3H3 |
| InChIKey |
FXKQSNAHNUDGTE-UHFFFAOYSA-N |
| Molecular Weight |
348.527 g/mol |
| SMILES |
C1=CC=C(C(=C1)C(OC(CCCCCCCCC)CCCC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878563 |
