| SpectraBase Spectrum ID |
CqryKVKCpUZ |
| Name |
1-(Trifluoromethyl)-1-cyclohexy-2,2-(diphenylthio)ethane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23F3S2 |
| InChI |
InChI=1S/C21H23F3S2/c22-21(23,24)19(16-10-4-1-5-11-16)20(25-17-12-6-2-7-13-17)26-18-14-8-3-9-15-18/h2-3,6-9,12-16,19-20H,1,4-5,10-11H2 |
| InChIKey |
XBBUERRJYVHBSK-UHFFFAOYSA-N |
| Molecular Weight |
396.530 g/mol |
| SMILES |
C(C(C(F)(F)F)C1CCCCC1)(Sc1ccccc1)Sc1ccccc1 |
| SPLASH |
splash10-001i-9000000000-8544c0323b55a73a71c3 |
| Source of Spectrum |
SO-0-967-5 |
| Wiley ID |
1543621 |
