| SpectraBase Spectrum ID |
1QczQf2Zdji |
| Name |
3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.078644243 u |
| Formula |
C11H12O3 |
| InChI |
InChI=1S/C11H12O3/c1-11(10(12)13-2)7-14-9-6-4-3-5-8(9)11/h3-6H,7H2,1-2H3 |
| InChIKey |
FVWYXVZMDAFQLW-UHFFFAOYSA-N |
| Molecular Weight |
192.214 g/mol |
| SMILES |
C1=CC=CC2=C1OCC2(C)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890701 |
