| SpectraBase Spectrum ID |
KBh59d2qfed |
| Name |
Malonic acid, 2-(2,3-dihydrobenzo[B]furan-5-yl)-2-hydroxy-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.079038165 u |
| Formula |
C13H14O6 |
| InChI |
InChI=1S/C13H14O6/c1-17-11(14)13(16,12(15)18-2)9-3-4-10-8(7-9)5-6-19-10/h3-4,7,16H,5-6H2,1-2H3 |
| InChIKey |
BGPHIZABQJCHJM-UHFFFAOYSA-N |
| Molecular Weight |
266.249 g/mol |
| SMILES |
C1OC=2C(C1)=CC(=CC2)C(C(=O)OC)(O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935805 |
![Malonic acid, 2-(2,3-dihydrobenzo[b]furan-5-yl)-2-hydroxy-, dimethyl ester](/api/spectrum/KBh59d2qfed/structure.png?h=300&w=458 "Malonic acid, 2-(2,3-dihydrobenzo[b]furan-5-yl)-2-hydroxy-, dimethyl ester")
