| SpectraBase Spectrum ID |
I3uIjmOmgU4 |
| Name |
8-nitro-10-(p-tolylsulphonyl)-1-thia-10-aza[2.2]metacyclophane |
| Alternate Name(s) |
10-[(4-methylphenyl)sulfonyl]-16-nitro-2-thia-10-azatricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaene |
| CAS Registry Number |
133753-63-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H18N2O4S2 |
| InChI |
InChI=1S/C21H18N2O4S2/c1-15-8-10-20(11-9-15)29(26,27)22-13-16-4-2-5-17(21(16)23(24)25)14-28-19-7-3-6-18(22)12-19/h2-12H,13-14H2,1H3 |
| InChIKey |
FOXXUIBYVQULRJ-UHFFFAOYSA-N |
| Molecular Weight |
426.505 g/mol |
| SMILES |
C1N(S(c2ccc(cc2)C)(=O)=O)c2cc(SCc3c(c1ccc3)N(=O)=O)ccc2 |
| SPLASH |
splash10-001i-0009000000-489c63bfc2094c176816 |
| Source of Spectrum |
K-124-1588-3 |
| Wiley ID |
1379842 |
![8-nitro-10-(p-tolylsulphonyl)-1-thia-10-aza[2.2]metacyclophane](/api/spectrum/I3uIjmOmgU4/structure.png?h=300&w=458 "8-nitro-10-(p-tolylsulphonyl)-1-thia-10-aza[2.2]metacyclophane")
