| SpectraBase Spectrum ID |
9u91c4P2Tv8 |
| Name |
4-Chloro-1,3-dihydro-5,6-dihydroxy-7-methoxyisobenzofuran-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.998201020 u |
| Formula |
C9H7ClO5 |
| InChI |
InChI=1S/C9H7ClO5/c1-14-8-4-3(2-15-9(4)13)5(10)6(11)7(8)12/h11-12H,2H2,1H3 |
| InChIKey |
JUKWTUXUPOWUFG-UHFFFAOYSA-N |
| Molecular Weight |
230.603 g/mol |
| SMILES |
C12=C(C(Cl)=C(C(=C2OC)O)O)COC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8094 |
