| SpectraBase Spectrum ID |
15n38za4JPB |
| Name |
Benzoic acid, 2,4-dimethoxy-6-methyl-, 6,7-dichloro-5,8-dihydro-4-hydroxy-5,8-dioxo-1-naphthalenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.011658184 u |
| Formula |
C20H14Cl2O7 |
| InChI |
InChI=1S/C20H14Cl2O7/c1-8-6-9(27-2)7-12(28-3)13(8)20(26)29-11-5-4-10(23)14-15(11)19(25)17(22)16(21)18(14)24/h4-7,23H,1-3H3 |
| InChIKey |
JAHKPQIQSKKEJR-UHFFFAOYSA-N |
| Molecular Weight |
437.231 g/mol |
| SMILES |
C12=C(C(=O)C(=C(C2=O)Cl)Cl)C(O)=CC=C1OC(C=1C(=CC(=CC1C)OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8802 |
