| SpectraBase Spectrum ID |
2bmNxllpDeE |
| Name |
(1R,5S)-N,N-Dibenzyl-3-(1-(4-chlorophenyl)-5-(dichloromethyl)-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 |
C29H26Cl3N5O2 |
| InChI |
InChI=1S/C29H26Cl3N5O2/c30-21-11-13-22(14-12-21)36-26(28(31)32)27(37(38)39)29(33-36)35-17-23-24(18-35)25(23)34(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,23-25,28H,15-18H2/t23-,24+,25+ |
| InChIKey |
KPYMDLKEGBFEDJ-LNWKWYTESA-N |
| Instrument Name |
Hewlett Packard MS 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.69 |
| Molecular Weight |
582.919 g/mol |
| Reported Formula |
C29H26Cl3N5O2 |
| SMILES |
c1(ccccc1)CN([C@]1([C@@]2(CN(C[C@]12[H])c1n[n](c(c1[N+](=O)[O-])C(Cl)Cl)-c1ccc(cc1)Cl)[H])[H])Cc1ccccc1 |
| SPLASH |
splash10-0ab9-0906120000-fa0ad1250fb8333fa7c6 |
| Source of Spectrum |
BJO-8-SM12-27 |
| Wiley ID |
1867404 |
![(1R,5S)-N,N-Dibenzyl-3-(1-(4-chlorophenyl)-5-(dichloromethyl)-4-nitro-1H-pyrazol-3-yl)-3-azabicyclo[3.1.0]hexan-6-amine](/api/spectrum/2bmNxllpDeE/structure.png?h=300&w=458 "(1R,5S)-N,N-Dibenzyl-3-(1-(4-chlorophenyl)-5-(dichloromethyl)-4-nitro-1H-pyrazol-3-yl)-3-azabicyclo[3.1.0]hexan-6-amine")
