| SpectraBase Spectrum ID |
5wl8v96iWEV |
| Name |
2-Isopropyl-2-methyl-4-(trifluoromethyl)adamantane |
| Comments |
Note: The molecular formula of the structure shown is C15H23F3 - which differs from the formula reported for the mass spectrum (C15H22DF3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22DF3 |
| InChI |
InChI=1S/C15H23F3/c1-8(2)14(3)11-5-9-4-10(7-11)13(12(14)6-9)15(16,17)18/h8-13H,4-7H2,1-3H3/t9-,10+,11-,12+,13-,14+/m0/s1 |
| InChIKey |
JRCWCAWVXFTREF-AJSWTNHPSA-N |
| Molecular Weight |
260.344 g/mol |
| SMILES |
[C@]12(C[C@@]3([C@]([C@](C2)([C@]([C@](C1)(C3)[H])(C(F)(F)F)[H])[H])(C(C)C)C)[H])[H] |
| SPLASH |
splash10-052f-9200000000-ead05578eb836cdb1274 |
| Wiley ID |
1475462 |
