SpectraBase Spectrum ID |
B42pYAjHLm4 |
Name |
7-[1,2-Bis(4-nitrophenyl)decahydro-1H-trans-cyclooctapyrazol-3-yl]-heptanal |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C28H36N4O5 |
InChI |
InChI=1S/C28H36N4O5/c33-21-9-5-1-2-7-11-27-26-10-6-3-4-8-12-28(26)30(23-15-19-25(20-16-23)32(36)37)29(27)22-13-17-24(18-14-22)31(34)35/h13-21,26-28H,1-12H2/t26-,27?,28+/m1/s1 |
InChIKey |
AMZFWXONGQQJKO-UNQNHFTRSA-N |
Literature Reference DOI |
10.1002/cber.19821150620 |
Molecular Weight |
508.619 g/mol |
SMILES |
C1C[C@]2([C@](CCCC1)(N(N(C2CCCCCCC=O)c1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O)[H])[H] |
SPLASH |
splash10-0a4i-3001090000-5b399c429862d9300dda |
Source of Spectrum |
K-115-2253-15 |
Synonyms |
7-((3aS,9aS)-1,2-bis(4-nitrophenyl)decahydro-1H-cycloocta[c]pyrazol-3-yl)heptanal |
Wiley ID |
1791970 |