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(3S,4S,5R,6R)-3-((3E,5E)-Hepta-3,5-dienyl)-5-nitro-4,6-diphenylcyclohex-1-ene-carbaldehyde
SpectraBase Compound ID C6300j5Vdxs
InChI InChI=1S/C26H27NO3/c1-2-3-4-5-8-17-22-18-23(19-28)25(21-15-11-7-12-16-21)26(27(29)30)24(22)20-13-9-6-10-14-20/h2-7,9-16,18-19,22,24-26H,8,17H2,1H3/b3-2+,5-4+/t22-,24+,25+,26+/m0/s1
InChIKey DMUYKDSEHYOQIB-SPZGBKDISA-N
Mol Weight 401.51 g/mol
Molecular Formula C26H27NO3
Exact Mass 401.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ddo9sQvRY
Name (3S,4S,5R,6R)-3-((3E,5E)-Hepta-3,5-dienyl)-5-nitro-4,6-diphenylcyclohex-1-ene-carbaldehyde
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27NO3
InChI InChI=1S/C26H27NO3/c1-2-3-4-5-8-17-22-18-23(19-28)25(21-15-11-7-12-16-21)26(27(29)30)24(22)20-13-9-6-10-14-20/h2-7,9-16,18-19,22,24-26H,8,17H2,1H3/b3-2+,5-4+/t22-,24+,25+,26+/m0/s1
InChIKey DMUYKDSEHYOQIB-SPZGBKDISA-N
Literature Reference DOI 10.1002/adsc.200700396
Molecular Weight 401.506 g/mol
SMILES C1(=C[C@@]([C@]([C@]([C@@]1(c1ccccc1)[H])([N+](=O)[O-])[H])(c1ccccc1)[H])(CC\C=C\C=C\C)[H])C=O
SPLASH splash10-0uel-4496000000-4e1146f51a3237e864ce
Source of Spectrum ASC-350-267/SM11-36a
Synonyms (1'S,2'R,3'R,6'S)-6'-((3E,5E)-hepta-3,5-dien-1-yl)-2'-nitro-1',2',3',6'-tetrahydro-[1,1':3',1''-terphenyl]-4'-carbaldehyde
Wiley ID 1766000