| SpectraBase Spectrum ID |
KoEUjGgIMbE |
| Name |
2-(4-Chlorobenzoyl)-3-(4-methoxyphenyl)-6,6-dimethyl-6,7-dihydro-1-benzothiophen-4(5H)-one |
| Appearance |
Pale-yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.089993407 u |
| Formula |
C24H21ClO3S |
| InChI |
InChI=1S/C24H21ClO3S/c1-24(2)12-18(26)21-19(13-24)29-23(22(27)15-4-8-16(25)9-5-15)20(21)14-6-10-17(28-3)11-7-14/h4-11H,12-13H2,1-3H3 |
| InChIKey |
BPFVJYKHOXUIFL-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800361 |
| Molecular Weight |
424.942 g/mol |
| Quality |
455 |
| SMILES |
C1=2SC(=C(C2C(CC(C1)(C)C)=O)C1=CC=C(C=C1)OC)C(C1=CC=C(C=C1)Cl)=O |
| SPLASH |
splash10-00g0-1401900000-94361f70fea1c2802e01 |
| Source of Spectrum |
K1-2018-3011-4ap (DOI: 10.1002/ejoc.201800361) |
| Wiley ID |
1891755 |
