| SpectraBase Spectrum ID |
J7g8Ax1JSrX |
| Name |
5,9:12,16-Dimethenobenzocyclotetradecene, 10,11-dihydro-17,18-dimethyl-10-(phenylthio)- |
| CAS Registry Number |
80665-10-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H24S |
| InChI |
InChI=1S/C28H24S/c1-19-21-10-8-15-23(19)26-13-6-7-14-27(26)24-16-9-17-25(20(24)2)28(18-21)29-22-11-4-3-5-12-22/h3-17,28H,18H2,1-2H3 |
| InChIKey |
XKHPKAVOERDTHI-UHFFFAOYSA-N |
| Molecular Weight |
392.560 g/mol |
| SMILES |
c1-2c(-c3c(c(CC(c4c(c2ccc4)C)Sc2ccccc2)ccc3)C)cccc1 |
| SPLASH |
splash10-0uyi-0090000000-1e17ee41d7fa9e168b22 |
| Source of Spectrum |
C-104-2558-0 |
| Synonyms |
Phenylthiodimethylcyclophanene |
| Wiley ID |
1366100 |
