| SpectraBase Spectrum ID |
CCO4jtck35S |
| Name |
3a,4a-Dimethyl-1,7-bis(p-nitrophenyl)-3a,4a,8,13-tetrahydro-4H-nis[(1,2,4)-oxadiazolo[4,5-a : 5',4'-d]benzodiazepine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H20N6O6 |
| InChI |
InChI=1S/C25H20N6O6/c1-24-15-25(2)29(23(27-37-25)17-9-13-19(14-10-17)31(34)35)21-6-4-3-5-20(21)28(24)22(26-36-24)16-7-11-18(12-8-16)30(32)33/h3-14H,15H2,1-2H3/t24-,25-/m1/s1 |
| InChIKey |
KCXVBZRUSQYQBB-JWQCQUIFSA-N |
| Molecular Weight |
500.471 g/mol |
| SMILES |
[C@]12(N(c3c(N4C(=NO[C@@]4(C2)C)c2ccc(N(=O)=O)cc2)cccc3)C(=NO1)c1ccc(N(=O)=O)cc1)C |
| SPLASH |
splash10-0pb9-0009080000-fcd77602e065f8ba0648 |
| Source of Spectrum |
MZ-34-3569-3 |
| Wiley ID |
1582613 |
![3a,4a-Dimethyl-1,7-bis(p-nitrophenyl)-3a,4a,8,13-tetrahydro-4H-nis[(1,2,4)-oxadiazolo[4,5-a : 5',4'-d]benzodiazepine](/api/spectrum/CCO4jtck35S/structure.png?h=300&w=458 "3a,4a-Dimethyl-1,7-bis(p-nitrophenyl)-3a,4a,8,13-tetrahydro-4H-nis[(1,2,4)-oxadiazolo[4,5-a : 5',4'-d]benzodiazepine")
