| SpectraBase Spectrum ID |
7BDDezZ87HI |
| Name |
2-Benzoyl-3-(4-nitrophenyl)-6,7-dihydro-1-benzothiophen-4(5H)-one |
| Appearance |
Orange crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.072179137 u |
| Formula |
C21H15NO4S |
| InChI |
InChI=1S/C21H15NO4S/c23-16-7-4-8-17-19(16)18(13-9-11-15(12-10-13)22(25)26)21(27-17)20(24)14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8H2 |
| InChIKey |
CIDRMMWKZQBFFP-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800361 |
| Molecular Weight |
377.414 g/mol |
| Quality |
447 |
| SMILES |
C=1(SC2=C(C1C=1C=CC(=CC1)[N+]([O-])=O)C(CCC2)=O)C(C1=CC=CC=C1)=O |
| SPLASH |
splash10-056r-4719000000-382d663a2601bf2a7c1c |
| Source of Spectrum |
K1-2018-3010-4ag (DOI: 10.1002/ejoc.201800361) |
| Wiley ID |
1891746 |
