| SpectraBase Spectrum ID |
8kUe3t67tj4 |
| Name |
Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2,5-dimethyl-, ethyl ester |
| Alternate Name(s) |
Ethyl 3-chloro-6-hydroxy-4-methoxy-2,5-dimethylbenzoate |
| CAS Registry Number |
111258-52-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H15ClO4 |
| InChI |
InChI=1S/C12H15ClO4/c1-5-17-12(15)8-6(2)9(13)11(16-4)7(3)10(8)14/h14H,5H2,1-4H3 |
| InChIKey |
JLPQCTKMRJQONR-UHFFFAOYSA-N |
| Molecular Weight |
258.701 g/mol |
| SMILES |
Oc1c(c(c(c(OC)c1C)Cl)C)C(=O)OCC |
| SPLASH |
splash10-03di-0090000000-cb1354aa2984304a0a0d |
| Source of Spectrum |
B-40-1587-20 |
| Wiley ID |
1261382 |
