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(4Z)-7-[1,2-Bis(4-nitrophenyl)-2,3,3a,4,5,8,9,9a-octahydro-1H-trans-cyclooctapyrazol-3-yl]-4-heptenal
SpectraBase Compound ID EiPzhVr7yia
InChI InChI=1S/C28H32N4O5/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/h1-4,13-21,26-28H,5-12H2/b2-1-,4-3-/t26-,27?,28+/m1/s1
InChIKey LSRUUKUYGVYRJP-YMCZPNGBSA-N
Mol Weight 504.6 g/mol
Molecular Formula C28H32N4O5
Exact Mass 504.23727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6FAKHjzgCK
Name (4Z)-7-[1,2-Bis(4-nitrophenyl)-2,3,3a,4,5,8,9,9a-octahydro-1H-trans-cyclooctapyrazol-3-yl]-4-heptenal
Alternate Name(s) (Z)-7-((3aS,9aS,Z)-1,2-bis(4-nitrophenyl)-2,3,3a,4,5,8,9,9a-octahydro-1H-cycloocta[c]pyrazol-3-yl)hept-4-enal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32N4O5
InChI InChI=1S/C28H32N4O5/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/h1-4,13-21,26-28H,5-12H2/b2-1-,4-3-/t26-,27?,28+/m1/s1
InChIKey LSRUUKUYGVYRJP-YMCZPNGBSA-N
Literature Reference DOI 10.1002/cber.19821150620
Molecular Weight 504.587 g/mol
SMILES C1\C=C/CC[C@]2([H])N(c3ccc([N+](=O)[O-])cc3)N(c3ccc([N+](=O)[O-])cc3)C(CC\C=C/CCC=O)[C@@]2([H])C1
SPLASH splash10-0w29-0108090000-b8137c9a1531fb9b1bb7
Source of Spectrum K-115-2254-27
Wiley ID 1791972