| SpectraBase Spectrum ID |
KmamZ9UmEWl |
| Name |
Benzoic acid, 3-chloro-2,4-dihydroxy-6-pentyl-, ethyl ester |
| Alternate Name(s) |
Ethyl 3-chloro-2,4-dihydroxy-6-pentylbenzoate |
| CAS Registry Number |
120091-91-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H19ClO4 |
| InChI |
InChI=1S/C14H19ClO4/c1-3-5-6-7-9-8-10(16)12(15)13(17)11(9)14(18)19-4-2/h8,16-17H,3-7H2,1-2H3 |
| InChIKey |
PDDLKJCHPDVGEP-UHFFFAOYSA-N |
| Molecular Weight |
286.755 g/mol |
| SMILES |
Oc1cc(c(c(c1Cl)O)C(=O)OCC)CCCCC |
| SPLASH |
splash10-0006-0090000000-0e54e8eabe808905f7b1 |
| Source of Spectrum |
B-41-1792-10 |
| Wiley ID |
1289538 |
