| SpectraBase Spectrum ID |
8LOZl9c8E5e |
| Name |
3-(4-Methylphenyl)-2-(4-nitrophenyl)-6,7-dihydro-1-benzothiophen-4(5H)-one |
| Appearance |
Orange solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.092914582 u |
| Formula |
C21H17NO3S |
| InChI |
InChI=1S/C21H17NO3S/c1-13-5-7-14(8-6-13)19-20-17(23)3-2-4-18(20)26-21(19)15-9-11-16(12-10-15)22(24)25/h5-12H,2-4H2,1H3 |
| InChIKey |
GRTUAVKAELEJPK-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800361 |
| Molecular Weight |
363.431 g/mol |
| Quality |
400 |
| SMILES |
C1=2SC(=C(C2C(CCC1)=O)C1=CC=C(C=C1)C)C1=CC=C(C=C1)[N+]([O-])=O |
| SPLASH |
splash10-03di-0149000000-a3155fc4e973480e5686 |
| Source of Spectrum |
K1-2018-3012-4au (DOI: 10.1002/ejoc.201800361) |
| Wiley ID |
1891760 |
