| SpectraBase Spectrum ID |
LL1UShOgr31 |
| Name |
3-(4-Isopropylphenyl)-6,6-dimethyl-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. |
| Formula |
C25H25NO3S |
| InChI |
InChI=1S/C25H25NO3S/c1-15(2)16-5-7-17(8-6-16)22-23-20(27)13-25(3,4)14-21(23)30-24(22)18-9-11-19(12-10-18)26(28)29/h5-12,15H,13-14H2,1-4H3 |
| InChIKey |
WWTCBUJQJIXLEA-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800361 |
| Molecular Weight |
419.539 g/mol |
| Quality |
336 |
| SMILES |
C1=2SC(=C(C2C(CC(C1)(C)C)=O)C1=CC=C(C=C1)C(C)C)C1=CC=C(C=C1)[N+]([O-])=O |
| SPLASH |
splash10-0gi0-2022900000-17e18bace7e4d9cca1f7 |
| Source of Spectrum |
K1-2018-3012-4az (DOI: 10.1002/ejoc.201800361) |
| Wiley ID |
1891765 |
