| SpectraBase Spectrum ID |
LwaiijYsAT5 |
| Name |
N-[(Adamant-1-yl)methyl]-3-chloro-5-(trifluoromethyl)-aniline Hydrochloride |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22Cl2F3N |
| InChI |
InChI=1S/C18H21ClF3N.Cl/c19-15-4-14(18(20,21)22)5-16(6-15)23-10-17-7-11-1-12(8-17)3-13(2-11)9-17;/h4-6,11-13,23H,1-3,7-10H2;/t11-,12+,13-,17-; |
| InChIKey |
PLXFVXOGRCXGNK-RPOWCGIFSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jmedchem.7b00908 |
| Molecular Weight |
380.282 g/mol |
| SMILES |
N(CC12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])c1cc(cc(c1)C(F)(F)F)Cl.Cl |
| SPLASH |
splash10-000l-3925000000-51ab5df51747b5d7d228 |
| Source of Spectrum |
AF-61-114-19u |
| Wiley ID |
1879432 |
![N-[(Adamant-1-yl)methyl]-3-chloro-5-(trifluoromethyl)-aniline Hydrochloride](/api/spectrum/LwaiijYsAT5/structure.png?h=300&w=458 "N-[(Adamant-1-yl)methyl]-3-chloro-5-(trifluoromethyl)-aniline Hydrochloride")
