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(3S,4S,5R,6R)-3-Methyl-5-nitro-4,6-diphenylcyclo-hex-1-enylmethanol
SpectraBase Compound ID A6huTFl8oDI
InChI InChI=1S/C20H21NO3/c1-14-12-17(13-22)19(16-10-6-3-7-11-16)20(21(23)24)18(14)15-8-4-2-5-9-15/h2-12,14,18-20,22H,13H2,1H3/t14-,18-,19+,20+/m0/s1
InChIKey FCQRAAGBVRQLPM-VVHHDAOASA-N
Mol Weight 323.39 g/mol
Molecular Formula C20H21NO3
Exact Mass 323.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88kptGfo3g3
Name (3S,4S,5R,6R)-3-Methyl-5-nitro-4,6-diphenylcyclo-hex-1-enylmethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c1-14-12-17(13-22)19(16-10-6-3-7-11-16)20(21(23)24)18(14)15-8-4-2-5-9-15/h2-12,14,18-20,22H,13H2,1H3/t14-,18-,19+,20+/m0/s1
InChIKey FCQRAAGBVRQLPM-VVHHDAOASA-N
Literature Reference DOI 10.1002/adsc.200700396
Molecular Weight 323.392 g/mol
SMILES OCC1=C[C@@]([C@]([C@]([C@@]1(c1ccccc1)[H])([N+](=O)[O-])[H])(c1ccccc1)[H])(C)[H]
SPLASH splash10-05mo-4930000000-9ad6dd27ed86887398fe
Source of Spectrum ASC-350-267/SM16-17
Synonyms ((1'S,2'R,3'R,6'S)-6'-methyl-2'-nitro-1',2',3',6'-tetrahydro-[1,1':3',1''-terphenyl]-4'-yl)methanol
Wiley ID 1765992