| SpectraBase Spectrum ID |
HqVXG8N0398 |
| Name |
o-Toluic acid, 2-tetrahydrofurylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.109944372 u |
| Formula |
C13H16O3 |
| InChI |
InChI=1S/C13H16O3/c1-10-5-2-3-7-12(10)13(14)16-9-11-6-4-8-15-11/h2-3,5,7,11H,4,6,8-9H2,1H3 |
| InChIKey |
KKOQOJGDHYPFCK-UHFFFAOYSA-N |
| Molecular Weight |
220.268 g/mol |
| SMILES |
C1(OCCC1)COC(C=1C(=CC=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808523 |
