| SpectraBase Spectrum ID |
2nevPxybW5t |
| Name |
o-Anisic acid, 2-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/c1-4-5-6-7-8-9-10-11-12-15-18(2)24-21(22)19-16-13-14-17-20(19)23-3/h13-14,16-18H,4-12,15H2,1-3H3 |
| InChIKey |
ZYWRIFPFSBZDDJ-UHFFFAOYSA-N |
| Molecular Weight |
334.500 g/mol |
| SMILES |
C1=CC=C(C(=C1)C(OC(CCCCCCCCCCC)C)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810234 |
