| SpectraBase Spectrum ID |
Ea04fSmsQk4 |
| Name |
Benzoic acid, 3-methoxy-, undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.219494823 u |
| Formula |
C19H30O3 |
| InChI |
InChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-11-15-22-19(20)17-13-12-14-18(16-17)21-2/h12-14,16H,3-11,15H2,1-2H3 |
| InChIKey |
NECXTBYDKQTNTP-UHFFFAOYSA-N |
| SMILES |
C(OCCCCCCCCCCC)(=O)C1=CC=CC(OC)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82251 |
