| SpectraBase Spectrum ID |
BDvmSc71N64 |
| Name |
2-Keto-6,7-dimethoxy-chromene-3-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.047738036 u |
| Formula |
C12H10O6 |
| InChI |
InChI=1S/C12H10O6/c1-16-9-4-6-3-7(11(13)14)12(15)18-8(6)5-10(9)17-2/h3-5H,1-2H3,(H,13,14) |
| InChIKey |
XZPABFKZRALOPV-UHFFFAOYSA-N |
| Molecular Weight |
250.206 g/mol |
| SMILES |
C=1(C(OC2=C(C1)C=C(C(OC)=C2)OC)=O)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979911 |
