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7-[1,2-Bis(4-nitrophenyl)decahydro-1H-trans-cyclooctapyrazol-3-yl]-heptanal
SpectraBase Compound ID HDJ8lb7fG8q
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
Mol Weight 508.6 g/mol
Molecular Formula C28H36N4O5
Exact Mass 508.26857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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