| SpectraBase Spectrum ID |
EqnAoDK3T2e |
| Name |
6-Dichloromethyl-2-hydroxy-4-methoxy-3-methyl-benzoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.011264262 u |
| Formula |
C11H12Cl2O4 |
| InChI |
InChI=1S/C11H12Cl2O4/c1-5-7(16-2)4-6(10(12)13)8(9(5)14)11(15)17-3/h4,10,14H,1-3H3 |
| InChIKey |
UOGYPCXELVVSSC-UHFFFAOYSA-N |
| Molecular Weight |
279.119 g/mol |
| SMILES |
C1(=C(C=C(C(=C1O)C)OC)C(Cl)Cl)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957438 |
