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(3S,4S,5R,6R)-3-Methyl-5-nitro-6-phenyl-4-p-tolylcyclohex-1-enecarbaldehyde
SpectraBase Compound ID JxyaszKq0gK
InChI InChI=1S/C21H21NO3/c1-14-8-10-17(11-9-14)19-15(2)12-18(13-23)20(21(19)22(24)25)16-6-4-3-5-7-16/h3-13,15,19-21H,1-2H3/t15-,19-,20+,21+/m0/s1
InChIKey MVEQDGFFDQPFEM-JWOSDPRPSA-N
Mol Weight 335.4 g/mol
Molecular Formula C21H21NO3
Exact Mass 335.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JO919qmyY0X
Name (3S,4S,5R,6R)-3-Methyl-5-nitro-6-phenyl-4-p-tolylcyclohex-1-enecarbaldehyde
Alternate Name(s) (1'S,2'R,3'R,6'S)-4,6'-dimethyl-2'-nitro-1',2',3',6'-tetrahydro-[1,1':3',1''-terphenyl]-4'-carbaldehyde
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Formula C21H21NO3
InChI InChI=1S/C21H21NO3/c1-14-8-10-17(11-9-14)19-15(2)12-18(13-23)20(21(19)22(24)25)16-6-4-3-5-7-16/h3-13,15,19-21H,1-2H3/t15-,19-,20+,21+/m0/s1
InChIKey MVEQDGFFDQPFEM-JWOSDPRPSA-N
Literature Reference DOI 10.1002/adsc.200700396
Molecular Weight 335.403 g/mol
SMILES C1(=C[C@@]([C@]([C@]([C@@]1(c1ccccc1)[H])([N+](=O)[O-])[H])(c1ccc(cc1)C)[H])(C)[H])C=O
SPLASH splash10-000i-1592000000-8a741a11f2e709410530
Source of Spectrum ASC-350-267/SM3-6b
Wiley ID 1766015