| SpectraBase Spectrum ID |
HFRAw2cQeTA |
| Name |
Methyl 4-(4-bromophenyl)-6-methylthio-2,3-hexamethylenobenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23BrO2S |
| InChI |
InChI=1S/C21H23BrO2S/c1-24-21(23)20-17-8-6-4-3-5-7-16(17)18(13-19(20)25-2)14-9-11-15(22)12-10-14/h9-13H,3-8H2,1-2H3 |
| InChIKey |
JWQYBBQLOOOHHZ-UHFFFAOYSA-N |
| Molecular Weight |
419.377 g/mol |
| SMILES |
c1(c2c(CCCCCC2)c(cc1SC)-c1ccc(cc1)Br)C(=O)OC |
| SPLASH |
splash10-00mx-0009200000-5e1c1c5c1fcedafe8300 |
| Source of Spectrum |
SO-0-468-3 |
| Wiley ID |
876417 |
