| SpectraBase Spectrum ID |
IfsTOn7XgqH |
| Name |
(1R,5S)-N,N-Dibenzyl-3-(4-(dichloromethylene)-3-nitro-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H25Cl2N5O2 |
| InChI |
InChI=1S/C28H25Cl2N5O2/c29-27(30)25-26(35(36)37)28(31-23-13-7-8-14-34(23)25)33-17-21-22(18-33)24(21)32(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-14,21-22,24H,15-18H2/t21-,22+,24+ |
| InChIKey |
AOFITJOXLXWGRR-FIDNPTQWSA-N |
| Instrument Name |
Hewlett Packard MS 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.69 |
| Molecular Weight |
534.447 g/mol |
| Reported Formula |
C28H25Cl2N5O2 |
| SMILES |
c1(ccccc1)CN([C@]1([C@@]2(CN(C[C@]12[H])C=1N=C2N(C(C1[N+](=O)[O-])=C(Cl)Cl)C=CC=C2)[H])[H])Cc1ccccc1 |
| SPLASH |
splash10-014i-0910000000-6dc8cf214fb85dc3ae9c |
| Source of Spectrum |
BJO-8-SM10-24 |
| Wiley ID |
1867401 |
![(1R,5S)-N,N-Dibenzyl-3-(4-(dichloromethylene)-3-nitro-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine](/api/spectrum/IfsTOn7XgqH/structure.png?h=300&w=458 "(1R,5S)-N,N-Dibenzyl-3-(4-(dichloromethylene)-3-nitro-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine")
