| SpectraBase Spectrum ID |
IHyYQMv3Ayh |
| Name |
7-Chloro-3-hydroxy-5,8-dioxo-5,8-dihydro-naphthalene-1,2-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.003680323 u |
| Formula |
C14H9ClO7 |
| InChI |
InChI=1S/C14H9ClO7/c1-21-13(19)10-8(17)3-5-7(16)4-6(15)12(18)9(5)11(10)14(20)22-2/h3-4,17H,1-2H3 |
| InChIKey |
GMXNLDZBBSMYQU-UHFFFAOYSA-N |
| Molecular Weight |
324.672 g/mol |
| SMILES |
C1=2C(=C(C(=O)OC)C(=CC2C(=O)C=C(C1=O)Cl)O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852378 |
