| SpectraBase Spectrum ID |
2d6STzrl7Ue |
| Name |
3-(3-Methylphenyl)-2-(4-nitrophenyl)-6,7-dihydro-1-benzothiophen-4(5H)-one |
| Appearance |
Pale-yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.092914582 u |
| Formula |
C21H17NO3S |
| InChI |
InChI=1S/C21H17NO3S/c1-13-4-2-5-15(12-13)19-20-17(23)6-3-7-18(20)26-21(19)14-8-10-16(11-9-14)22(24)25/h2,4-5,8-12H,3,6-7H2,1H3 |
| InChIKey |
GBVBPHVBKLSXRZ-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800361 |
| Molecular Weight |
363.431 g/mol |
| Quality |
210 |
| SMILES |
C1=2SC(=C(C2C(CCC1)=O)C1=CC(=CC=C1)C)C1=CC=C(C=C1)[N+]([O-])=O |
| SPLASH |
splash10-03di-1249000000-9dddef0ab58751bf97d2 |
| Source of Spectrum |
K1-2018-3011-4at (DOI: 10.1002/ejoc.201800361) |
| Wiley ID |
1891759 |
