| SpectraBase Spectrum ID |
ApAwWujaIX9 |
| Name |
o-Anisic acid, 6-pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.282095081 u |
| Formula |
C23H38O3 |
| InChI |
InChI=1S/C23H38O3/c1-4-6-8-9-10-11-13-17-20(16-12-7-5-2)26-23(24)21-18-14-15-19-22(21)25-3/h14-15,18-20H,4-13,16-17H2,1-3H3 |
| InChIKey |
GMNWOPKXEHFSDT-UHFFFAOYSA-N |
| Molecular Weight |
362.554 g/mol |
| SMILES |
C1=CC=C(C(=C1)C(OC(CCCCCCCCC)CCCCC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906111 |
