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(3S,4S,5R,6R)-4-(2-Chlorphenyl)-5-nitro-3-((4E,6E)-octa-4,6-dienyl)-6-phenylcyclohex-1-ene-carbaldehyde
SpectraBase Compound ID 1pzCt042SC6
InChI InChI=1S/C27H28ClNO3/c1-2-3-4-5-6-8-15-21-18-22(19-30)25(20-13-9-7-10-14-20)27(29(31)32)26(21)23-16-11-12-17-24(23)28/h2-5,7,9-14,16-19,21,25-27H,6,8,15H2,1H3/b3-2+,5-4+/t21-,25+,26-,27-/m0/s1
InChIKey DLRYVKCASLJZSZ-VTYQVQNYSA-N
Mol Weight 449.98 g/mol
Molecular Formula C27H28ClNO3
Exact Mass 449.175771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JP0Y2qC1Ipz
Name (3S,4S,5R,6R)-4-(2-Chlorphenyl)-5-nitro-3-((4E,6E)-octa-4,6-dienyl)-6-phenylcyclohex-1-ene-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28ClNO3
InChI InChI=1S/C27H28ClNO3/c1-2-3-4-5-6-8-15-21-18-22(19-30)25(20-13-9-7-10-14-20)27(29(31)32)26(21)23-16-11-12-17-24(23)28/h2-5,7,9-14,16-19,21,25-27H,6,8,15H2,1H3/b3-2+,5-4+/t21-,25+,26-,27-/m0/s1
InChIKey DLRYVKCASLJZSZ-VTYQVQNYSA-N
Literature Reference DOI 10.1002/adsc.200700396
Molecular Weight 449.978 g/mol
SMILES C1(=C[C@@]([C@]([C@]([C@@]1(c1ccccc1)[H])([N+](=O)[O-])[H])(c1c(cccc1)Cl)[H])(CCC\C=C\C=C\C)[H])C=O
SPLASH splash10-0ufr-2591400000-48eca0cc0bf7a9b96126
Source of Spectrum ASC-350-267/SM13-36d
Synonyms (1'S,2'R,3'R,6'S)-2-chloro-2'-nitro-6'-((4E,6E)-octa-4,6-dien-1-yl)-1',2',3',6'-tetrahydro-[1,1':3',1''-terphenyl]-4'-carbaldehyde
Wiley ID 1766002