| SpectraBase Spectrum ID |
2cI9c0kcfHz |
| Name |
4-Hydroxy-2,3-dihydrobenzofuran-6,7-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.063388100 u |
| Formula |
C12H12O6 |
| InChI |
InChI=1S/C12H12O6/c1-16-11(14)7-5-8(13)6-3-4-18-10(6)9(7)12(15)17-2/h5,13H,3-4H2,1-2H3 |
| InChIKey |
HQDHVLGHFTYBSI-UHFFFAOYSA-N |
| Molecular Weight |
252.222 g/mol |
| SMILES |
C1OC=2C(C1)=C(C=C(C2C(=O)OC)C(=O)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851957 |
