| SpectraBase Spectrum ID |
91mzHjxosMd |
| Name |
(1R,5S)-(N)-Benzyl-3-(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-methyl-4-nitro-1H-pyrazol-3-yl)-3-azabicyclo[3.1.0]hexan-6-amine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H20Cl2F3N5O2 |
| InChI |
InChI=1S/C23H20Cl2F3N5O2/c1-12-20(33(34)35)22(30-32(12)21-17(24)7-14(8-18(21)25)23(26,27)28)31-10-15-16(11-31)19(15)29-9-13-5-3-2-4-6-13/h2-8,15-16,19,29H,9-11H2,1H3/t15-,16+,19+ |
| InChIKey |
SYJYWDIVUAXDLS-MNZLEMJZSA-N |
| Instrument Name |
Hewlett Packard MS 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.69 |
| Molecular Weight |
526.347 g/mol |
| Reported Formula |
C23H20Cl2N5O2F3 |
| SMILES |
N(Cc1ccccc1)[C@]1([C@@]2(CN(C[C@]12[H])c1n[n](-c2c(cc(cc2Cl)C(F)(F)F)Cl)c(c1[N+](=O)[O-])C)[H])[H] |
| SPLASH |
splash10-0006-9000000000-18dc5f9a838928ee63e9 |
| Source of Spectrum |
BJO-8-SM14-31 |
| Wiley ID |
1867407 |
![(1R,5S)-(N)-Benzyl-3-(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-methyl-4-nitro-1H-pyrazol-3-yl)-3-azabicyclo[3.1.0]hexan-6-amine](/api/spectrum/91mzHjxosMd/structure.png?h=300&w=458 "(1R,5S)-(N)-Benzyl-3-(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-methyl-4-nitro-1H-pyrazol-3-yl)-3-azabicyclo[3.1.0]hexan-6-amine")
