| SpectraBase Spectrum ID |
HAhL7QuLw9i |
| Name |
6-Hydroxy-3-keto-4-methoxy-phthalan-5-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.047738036 u |
| Formula |
C11H10O6 |
| InChI |
InChI=1S/C11H10O6/c1-15-9-7-5(4-17-11(7)14)3-6(12)8(9)10(13)16-2/h3,12H,4H2,1-2H3 |
| InChIKey |
HCYVWKKJCSSTNE-UHFFFAOYSA-N |
| Molecular Weight |
238.195 g/mol |
| SMILES |
C1(=O)OCC=2C=C(C(=C(C12)OC)C(=O)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97267 |
