| SpectraBase Spectrum ID |
8GD1lEWPbyn |
| Name |
8-Thiabicyclo[13.4.1]eicosa-2,4,6,9,11,13,15,17,19-nonaene, (E,E,E,E,Z,Z)- |
| Alternate Name(s) |
8,13-Methanothia[19]annulene
8-thiabicyclo[13.4.1]icosa-1(19),2,4,6,9,11,13,15,17-nonaene |
| CAS Registry Number |
112489-35-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H18S |
| InChI |
InChI=1S/C19H18S/c1-3-9-15-20-16-10-4-2-6-12-19-14-8-7-13-18(17-19)11-5-1/h1-16H,17H2/b3-1-,4-2-,11-5-,12-6-,15-9-,16-10- |
| InChIKey |
PZABUVTXKGXMIV-NLMYATONSA-N |
| Molecular Weight |
278.413 g/mol |
| SMILES |
C1=2\C=C/C=C\C=C/S\C=C/C=C\C=C/C(=CC=CC2)C1 |
| SPLASH |
splash10-00or-0890000000-5e0d967c43f566e977df |
| Source of Spectrum |
KC-1990-342-9 |
| Wiley ID |
1282543 |
![8-Thiabicyclo[13.4.1]eicosa-2,4,6,9,11,13,15,17,19-nonaene, (E,E,E,E,Z,Z)-](/api/spectrum/8GD1lEWPbyn/structure.png?h=300&w=458 "8-Thiabicyclo[13.4.1]eicosa-2,4,6,9,11,13,15,17,19-nonaene, (E,E,E,E,Z,Z)-")
