| SpectraBase Spectrum ID |
5aEdXaABSfG |
| Name |
2-(((4-chlorobenzoyl)oxy)(4-chlorophenyl)methyl)-3-mesityl-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-3-ium perchlorate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H30Cl3NO6S |
| InChI |
InChI=1S/C31H29Cl2NO2S.ClHO4/c1-19-16-20(2)30(28(36)17-19)34-26-6-4-3-5-7-29(26)37-31(34)25(21-8-12-23(32)13-9-21)18-27(35)22-10-14-24(33)15-11-22;2-1(3,4)5/h8-17,25H,3-7,18H2,1-2H3;(H,2,3,4,5) |
| InChIKey |
YRJJLHQZOYSIQI-UHFFFAOYSA-N |
| Instrument Name |
Simadzu GC-MS QP5050 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.176 |
| Molecular Weight |
651.001 g/mol |
| SMILES |
Oc1cc(cc(c1-[n+]1c2CCCCCc2sc1C(c1ccc(cc1)Cl)CC(c1ccc(cc1)Cl)=O)C)C.[Cl]([O-])(=O)(=O)=O |
| SPLASH |
splash10-000i-0690000000-5e7fd7ec701f27cd7603 |
| Source of Spectrum |
BJO-13-SM14-12 |
| Thin-Layer Chromatography |
Rf = 0.10 (EtOAc) |
| Wiley ID |
1848227 |
![2-(((4-chlorobenzoyl)oxy)(4-chlorophenyl)methyl)-3-mesityl-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-3-ium perchlorate](/api/spectrum/5aEdXaABSfG/structure.png?h=300&w=458 "2-(((4-chlorobenzoyl)oxy)(4-chlorophenyl)methyl)-3-mesityl-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-3-ium perchlorate")
