| SpectraBase Spectrum ID |
4Pk0xy0b8S |
| Name |
(1R,5S)-N,N-Dibenzyl-3-(1-(benzotriazol-1-yl)-2-nitro-3,4,4-trichlorobuta-1,3-dienyl)-3-azabicyclo[3.1.0]hexan-6-amine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H25Cl3N6O2 |
| InChI |
InChI=1S/C29H25Cl3N6O2/c30-25(28(31)32)27(38(39)40)29(37-24-14-8-7-13-23(24)33-34-37)36-17-21-22(18-36)26(21)35(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-14,21-22,26H,15-18H2/t21-,22+,26+ |
| InChIKey |
XMGWLUZRZVQFLS-PHTYHVAFSA-N |
| Instrument Name |
Hewlett Packard MS 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.69 |
| Molecular Weight |
595.918 g/mol |
| Reported Formula |
C29H25Cl3N6O2 |
| SMILES |
c1(ccccc1)CN([C@]1([C@]2(CN(C[C@@]12[H])C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])[n]1nnc2c1cccc2)[H])[H])Cc1ccccc1 |
| SPLASH |
splash10-0a4r-0890010000-975cc2e76cf50ce4eefd |
| Source of Spectrum |
BJO-8-SM11-25 |
| Wiley ID |
1867402 |
![(1R,5S)-N,N-Dibenzyl-3-(1-(benzotriazol-1-yl)-2-nitro-3,4,4-trichlorobuta-1,3-dienyl)-3-azabicyclo[3.1.0]hexan-6-amine](/api/spectrum/4Pk0xy0b8S/structure.png?h=300&w=458 "(1R,5S)-N,N-Dibenzyl-3-(1-(benzotriazol-1-yl)-2-nitro-3,4,4-trichlorobuta-1,3-dienyl)-3-azabicyclo[3.1.0]hexan-6-amine")
