| SpectraBase Spectrum ID |
6hduW0SezWz |
| Name |
o-Anisic acid, 4-tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-4-6-7-8-9-10-11-15-18(14-5-2)24-21(22)19-16-12-13-17-20(19)23-3/h12-13,16-18H,4-11,14-15H2,1-3H3 |
| InChIKey |
NMBUPNBVEJSGFJ-UHFFFAOYSA-N |
| Molecular Weight |
334.500 g/mol |
| SMILES |
C1=CC=C(C(=C1)C(OC(CCCCCCCCC)CCC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827641 |
