| SpectraBase Spectrum ID |
5nychs6Hwgx |
| Name |
Benzoic acid, 3-chloro-6-hydroxy-2,5-dimethyl-4-(phenylmethoxy)-, ethyl ester |
| Alternate Name(s) |
ethyl 4-(benzyloxy)-3-chloro-6-hydroxy-2,5-dimethylbenzoate |
| CAS Registry Number |
111258-48-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H19ClO4 |
| InChI |
InChI=1S/C18H19ClO4/c1-4-22-18(21)14-11(2)15(19)17(12(3)16(14)20)23-10-13-8-6-5-7-9-13/h5-9,20H,4,10H2,1-3H3 |
| InChIKey |
IGROLKWOUUHHMI-UHFFFAOYSA-N |
| Molecular Weight |
334.799 g/mol |
| SMILES |
Oc1c(c(c(c(OCc2ccccc2)c1C)Cl)C)C(=O)OCC |
| SPLASH |
splash10-0006-9001000000-47c440921562d1d9ad37 |
| Source of Spectrum |
B-40-1586-16 |
| Wiley ID |
1330855 |
