| SpectraBase Spectrum ID |
DbmY5D6KbQp |
| Name |
2-Keto-5-(m-tolyl)tetrahydrofuran-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 |
234.089208927 u |
| Formula |
C13H14O4 |
| InChI |
InChI=1S/C13H14O4/c1-8-4-3-5-9(6-8)11-7-10(12(14)16-2)13(15)17-11/h3-6,10-11H,7H2,1-2H3 |
| InChIKey |
CAARXLOHJUPOCV-UHFFFAOYSA-N |
| Molecular Weight |
234.251 g/mol |
| SMILES |
C1(C(OC(C1)C=1C=C(C)C=CC1)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829037 |
