| SpectraBase Spectrum ID |
6k8UPCWdvB2 |
| Name |
6-Hydroxy-1,3-diketo-4-methyl-phthalan-5-carboxylic acid ethyl ester |
| 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/c1-3-17-11(15)9-5(2)8-6(4-7(9)13)10(14)18-12(8)16/h4,13H,3H2,1-2H3 |
| InChIKey |
GTXIUEAQFVYCLV-UHFFFAOYSA-N |
| Molecular Weight |
250.206 g/mol |
| SMILES |
C1(C=2C(=CC(=C(C2C)C(=O)OCC)O)C(O1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863056 |
