| SpectraBase Spectrum ID |
BRWkMD4z4ib |
| Name |
10H,12H-1,13:5,9-Dimetheno-2H,4H-3,11-benzodithiacyclohexadecin, stereoisomer |
| Alternate Name(s) |
2,13-Dithia(3)metacyclo(3)naphthalenophane
3,11-dithiatetracyclo[11.7.1.1(5,9).0(14,19)]docosa-1(20),5(22),6,8,13(21),14,16,18-octaene |
| CAS Registry Number |
72150-49-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H18S2 |
| InChI |
InChI=1S/C20H18S2/c1-2-7-20-18(6-1)9-17-10-19(20)14-22-12-16-5-3-4-15(8-16)11-21-13-17/h1-10H,11-14H2 |
| InChIKey |
ZFBORBZEPFAQAB-UHFFFAOYSA-N |
| Molecular Weight |
322.484 g/mol |
| SMILES |
c12c3c(cccc3)cc(c1)CSCc1cc(CSC2)ccc1 |
| SPLASH |
splash10-00di-0009000000-457eee5c7d08728875b9 |
| Source of Spectrum |
C-104-2549-0 |
| Wiley ID |
1321929 |
