| SpectraBase Spectrum ID |
LDrLOo3DE4M |
| Name |
Benzoic acid, 3-chloro-2,4-dihydroxy-6-propyl-, ethyl ester |
| Alternate Name(s) |
Ethyl 3-chloro-2,4-dihydroxy-6-propylbenzoate |
| CAS Registry Number |
104307-51-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H15ClO4 |
| InChI |
InChI=1S/C12H15ClO4/c1-3-5-7-6-8(14)10(13)11(15)9(7)12(16)17-4-2/h6,14-15H,3-5H2,1-2H3 |
| InChIKey |
VHFYUGOZIUUTCK-UHFFFAOYSA-N |
| Molecular Weight |
258.701 g/mol |
| SMILES |
Oc1cc(c(c(c1Cl)O)C(=O)OCC)CCC |
| SPLASH |
splash10-03di-0090000000-85f62125c98736c555d4 |
| Source of Spectrum |
B-38-1868-19 |
| Wiley ID |
1261379 |
