| SpectraBase Spectrum ID |
AMRkyZWp5kd |
| Name |
o-Toluic acid, dodec-9-ynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.208930140 u |
| Formula |
C20H28O2 |
| InChI |
InChI=1S/C20H28O2/c1-3-4-5-6-7-8-9-10-11-14-17-22-20(21)19-16-13-12-15-18(19)2/h12-13,15-16H,3,6-11,14,17H2,1-2H3 |
| InChIKey |
GOLJVAJTVIMORZ-UHFFFAOYSA-N |
| SMILES |
C(OCCCCCCCCC#CCC)(=O)C=1C(C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830926 |
