| SpectraBase Spectrum ID |
K1W7z5pVpha |
| Name |
2-(4-Chlorobenzoyl)-6,6-dimethyl-3-(4-nitrophenyl)-6,7-dihydro-1-benzothiophen-4(5H)-one |
| Appearance |
White crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.064506934 u |
| Formula |
C23H18ClNO4S |
| InChI |
InChI=1S/C23H18ClNO4S/c1-23(2)11-17(26)20-18(12-23)30-22(21(27)14-3-7-15(24)8-4-14)19(20)13-5-9-16(10-6-13)25(28)29/h3-10H,11-12H2,1-2H3 |
| InChIKey |
VTZVAZLUYYJYNR-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800361 |
| Molecular Weight |
439.913 g/mol |
| Quality |
547 |
| SMILES |
C1=2SC(=C(C2C(CC(C1)(C)C)=O)C1=CC=C(C=C1)[N+]([O-])=O)C(C1=CC=C(C=C1)Cl)=O |
| SPLASH |
splash10-000i-1803900000-ce76263b5db731b6db07 |
| Source of Spectrum |
K1-2018-3011-4aq (DOI: 10.1002/ejoc.201800361) |
| Wiley ID |
1891756 |
