| SpectraBase Spectrum ID |
1ZgJtFJLur6 |
| Name |
1,3-Dibenzoyl-5-exo-chloro-4,5,6,7-tetrahydro-4,7-methano-6-exo-(4-nitrophenylthio)-2-benzothiophene |
| Alternate Name(s) |
{5-benzoyl-9-chloro-8-[(4-nitrophenyl)sulfanyl]-4-thiatricyclo[5.2.1.0(2,6)]deca-2,5-dien-3-yl}(phenyl)methanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H20ClNO4S2 |
| InChI |
InChI=1S/C29H20ClNO4S2/c30-24-20-15-21(27(24)36-19-13-11-18(12-14-19)31(34)35)23-22(20)28(25(32)16-7-3-1-4-8-16)37-29(23)26(33)17-9-5-2-6-10-17/h1-14,20-21,24,27H,15H2/t20-,21+,24+,27+/m1/s1 |
| InChIKey |
QBUJELZPVJPAEG-XLQFRCBESA-N |
| Molecular Weight |
546.055 g/mol |
| SMILES |
c12c(c(C(=O)c3ccccc3)sc1C(=O)c1ccccc1)[C@]1(C[C@@]2([C@@]([C@]1(Cl)[H])(Sc1ccc(N(=O)=O)cc1)[H])[H])[H] |
| SPLASH |
splash10-0a4i-0902040000-d10d20742489e7813a3f |
| Source of Spectrum |
AJ-72-1603-41 |
| Wiley ID |
775034 |
