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(3S,4S,5R,6R)-4-(4-Fluorphenyl)-3-methyl-5-nitro-6-phenylcyclohex-1-ene-carbaldehyde
SpectraBase Compound ID L3oT0R2max1
InChI InChI=1S/C20H18FNO3/c1-13-11-16(12-23)19(14-5-3-2-4-6-14)20(22(24)25)18(13)15-7-9-17(21)10-8-15/h2-13,18-20H,1H3/t13-,18-,19+,20+/m0/s1
InChIKey YATRUQOEWYRTBF-YGHPHNMRSA-N
Mol Weight 339.37 g/mol
Molecular Formula C20H18FNO3
Exact Mass 339.127072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAevuc2Qf1r
Name (3S,4S,5R,6R)-4-(4-Fluorphenyl)-3-methyl-5-nitro-6-phenylcyclohex-1-ene-carbaldehyde
Alternate Name(s) (1'S,2'R,3'R,6'S)-4-fluoro-6'-methyl-2'-nitro-1',2',3',6'-tetrahydro-[1,1':3',1''-terphenyl]-4'-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18FNO3
InChI InChI=1S/C20H18FNO3/c1-13-11-16(12-23)19(14-5-3-2-4-6-14)20(22(24)25)18(13)15-7-9-17(21)10-8-15/h2-13,18-20H,1H3/t13-,18-,19+,20+/m0/s1
InChIKey YATRUQOEWYRTBF-YGHPHNMRSA-N
Literature Reference DOI 10.1002/adsc.200700396
Molecular Weight 339.366 g/mol
SMILES C1(=C[C@@]([C@]([C@]([C@@]1(c1ccccc1)[H])([N+](=O)[O-])[H])(c1ccc(cc1)F)[H])(C)[H])C=O
SPLASH splash10-0006-0591000000-d1fbc74cccc4c0b6c0da
Source of Spectrum ASC-350-267/SM4-6c
Wiley ID 1766016