| SpectraBase Spectrum ID |
3jYes0zQ5aQ |
| Name |
Methyl 5-(2'-chloroethyl)-3-hexyl-4-ethyl-2-hydroxy-6-(2'-thienyl)-benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H29ClO3S |
| InChI |
InChI=1S/C22H29ClO3S/c1-4-6-7-8-10-17-15(5-2)16(12-13-23)19(18-11-9-14-27-18)20(21(17)24)22(25)26-3/h9,11,14,24H,4-8,10,12-13H2,1-3H3 |
| InChIKey |
CWIQYXCOGZMVDC-UHFFFAOYSA-N |
| Molecular Weight |
408.984 g/mol |
| SMILES |
Oc1c(c(c(CCCl)c(c1CCCCCC)CC)-c1sccc1)C(=O)OC |
| SPLASH |
splash10-056r-0029400000-6c18ff169b1c789bb60a |
| Source of Spectrum |
F5-6-3549-9d |
| Synonyms |
Methyl 3-(2-chloroethyl)-4-ethyl-5-hexyl-6-hydroxy-2-(thiophen-2-yl)benzoate |
| Wiley ID |
1733640 |
