| SpectraBase Spectrum ID |
9m0JPxGtU97 |
| Name |
3-(4-Chlorophenyl)-6,6-dimethyl-2-(4-nitrophenyl)-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 |
411.069592315 u |
| Formula |
C22H18ClNO3S |
| InChI |
InChI=1S/C22H18ClNO3S/c1-22(2)11-17(25)20-18(12-22)28-21(14-5-9-16(10-6-14)24(26)27)19(20)13-3-7-15(23)8-4-13/h3-10H,11-12H2,1-2H3 |
| InChIKey |
QFUBLKRJLSDTAQ-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800361 |
| Molecular Weight |
411.903 g/mol |
| Quality |
366 |
| SMILES |
C1=2SC(=C(C2C(CC(C1)(C)C)=O)C1=CC=C(C=C1)Cl)C1=CC=C(C=C1)[N+]([O-])=O |
| SPLASH |
splash10-0ff0-6392300000-755e6683ca260d017581 |
| Source of Spectrum |
K1-2018-3013-4be (DOI: 10.1002/ejoc.201800361) |
| Wiley ID |
1891770 |
