| SpectraBase Spectrum ID |
3mRX970gD81 |
| Name |
(3s,5s,7s)-N-Methyl-N-(3-phenyl-3-(4-(trifluoromethyl)phenoxy)propyl)adamantan-1-amine |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.243599142 u |
| Formula |
C27H32F3NO |
| InChI |
InChI=1S/C27H32F3NO/c1-31(26-16-19-13-20(17-26)15-21(14-19)18-26)12-11-25(22-5-3-2-4-6-22)32-24-9-7-23(8-10-24)27(28,29)30/h2-10,19-21,25H,11-18H2,1H3/t19-,20+,21-,25?,26- |
| InChIKey |
MAZMASMNLQHOSL-ZROAJOSLSA-N |
| Instrument Name |
Finnigan MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202304445 |
| Molecular Weight |
443.554 g/mol |
| Quality |
70 |
| Reported Formula |
C27H32F3NO |
| SMILES |
C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])N(C)CCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1)[H] |
| SPLASH |
splash10-002r-0900000000-216db5dd01f0ff9435d3 |
| Source of Spectrum |
ACI-62-SM39-1o (DOI: 10.1002/anie.202304445) |
| Wiley ID |
1911130 |
