| SpectraBase Spectrum ID |
5OwnuY8VjT3 |
| Name |
12-Thiabicyclo[23.4.1]triaconta-2,4,6,8,10,13,15,17,19,21,23,25,27,29-tetradecaene, (all-Z)- |
| CAS Registry Number |
128654-31-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H28S |
| InChI |
InChI=1S/C29H28S/c1-2-5-9-13-19-25-30-26-20-14-10-6-4-8-12-16-22-29-24-18-17-23-28(27-29)21-15-11-7-3-1/h1-26H,27H2/b3-1-,5-2-,6-4-,11-7-,12-8-,13-9-,14-10-,21-15-,22-16-,25-19-,26-20- |
| InChIKey |
QZCJHKOYQAOZRB-WAARANKZSA-N |
| Molecular Weight |
408.603 g/mol |
| SMILES |
C1=2\C=C/C=C\C=C/C=C\C=C/S\C=C/C=C\C=C/C=C\C=C/C=C\C(=CC=CC2)C1 |
| SPLASH |
splash10-0006-9000100000-644673c40baf7c152220 |
| Source of Spectrum |
KC-1990-343-14 |
| Synonyms |
12,17-Methanothia[29]annulene
12-thiabicyclo[23.4.1]triaconta-1(29),2,4,6,8,10,13,15,17,19,21,23,25,27-tetradecaene |
| Wiley ID |
1373189 |
![12-Thiabicyclo[23.4.1]triaconta-2,4,6,8,10,13,15,17,19,21,23,25,27,29-tetradecaene, (all-Z)-](/api/spectrum/5OwnuY8VjT3/structure.png?h=300&w=458 "12-Thiabicyclo[23.4.1]triaconta-2,4,6,8,10,13,15,17,19,21,23,25,27,29-tetradecaene, (all-Z)-")
