| SpectraBase Spectrum ID |
KqRZYcHvSCv |
| Name |
5-Chloro-7,8-dimethoxy-2-(hydroxymethylene)-3,4-dihydronaphthalene-1(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.050236595 u |
| Formula |
C13H13ClO4 |
| InChI |
InChI=1S/C13H13ClO4/c1-17-10-5-9(14)8-4-3-7(6-15)12(16)11(8)13(10)18-2/h5-6,15H,3-4H2,1-2H3/b7-6+ |
| InChIKey |
TWVGRSNXVWIYON-VOTSOKGWSA-N |
| Molecular Weight |
268.696 g/mol |
| SMILES |
C=12C(\C(=C\O)CCC2=C(Cl)C=C(C1OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943099 |
