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(3S,4S,5R,6R)-3-(((2E,4E)-Hexa-2,4-dienyloxy)methyl)-5-nitro-4,6-diphenylcyclo-hex-1-ene-carbaldehyde
SpectraBase Compound ID AILW9OakKMh
InChI InChI=1S/C26H27NO4/c1-2-3-4-11-16-31-19-23-17-22(18-28)24(20-12-7-5-8-13-20)26(27(29)30)25(23)21-14-9-6-10-15-21/h2-15,17-18,23-26H,16,19H2,1H3/b3-2+,11-4+/t23-,24-,25-,26+/m1/s1
InChIKey UZGMMCHVOSWLRJ-VCBRLCHXSA-N
Mol Weight 417.51 g/mol
Molecular Formula C26H27NO4
Exact Mass 417.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jgxxEQqFwK
Name (3S,4S,5R,6R)-3-(((2E,4E)-Hexa-2,4-dienyloxy)methyl)-5-nitro-4,6-diphenylcyclo-hex-1-ene-carbaldehyde
Alternate Name(s) (1'S,2'R,3'R,6'S)-6'-(((2E,4E)-hexa-2,4-dien-1-yloxy)methyl)-2'-nitro-1',2',3',6'-tetrahydro-[1,1':3',1''-terphenyl]-4'-carbaldehyde
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Formula C26H27NO4
InChI InChI=1S/C26H27NO4/c1-2-3-4-11-16-31-19-23-17-22(18-28)24(20-12-7-5-8-13-20)26(27(29)30)25(23)21-14-9-6-10-15-21/h2-15,17-18,23-26H,16,19H2,1H3/b3-2+,11-4+/t23-,24-,25-,26+/m1/s1
InChIKey UZGMMCHVOSWLRJ-VCBRLCHXSA-N
Literature Reference DOI 10.1002/adsc.200700396
Molecular Weight 417.505 g/mol
SMILES C1(=C[C@@]([C@]([C@]([C@@]1(c1ccccc1)[H])([N+](=O)[O-])[H])(c1ccccc1)[H])(COC\C=C\C=C\C)[H])C=O
SPLASH splash10-001i-9004000000-d3a223549e1ca5532cd7
Source of Spectrum ASC-350-267/SM15-36g
Wiley ID 1766004