| SpectraBase Spectrum ID |
H3ZrC1BWrIu |
| Name |
m-Toluic acid, nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.193280075 u |
| Formula |
C17H26O2 |
| InChI |
InChI=1S/C17H26O2/c1-3-4-5-6-7-8-9-13-19-17(18)16-12-10-11-15(2)14-16/h10-12,14H,3-9,13H2,1-2H3 |
| InChIKey |
VATKQGRAGRBPSW-UHFFFAOYSA-N |
| Molecular Weight |
262.393 g/mol |
| SMILES |
C(OCCCCCCCCC)(=O)C1=CC(C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934683 |
