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(3S,4S,5S,6R)-6-ethyl-3-methyl-5-nitro-4-phenylcyclohex-1-enecarbaldehyde
SpectraBase Compound ID JWZ7Zz7pHiL
InChI InChI=1S/C16H19NO3/c1-3-14-13(10-18)9-11(2)15(16(14)17(19)20)12-7-5-4-6-8-12/h4-11,14-16H,3H2,1-2H3/t11-,14+,15-,16-/m0/s1
InChIKey FKOQQLIAFKAMEJ-MWNCTCPHSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7IMS2rpN8m
Name (3S,4S,5S,6R)-6-ethyl-3-methyl-5-nitro-4-phenylcyclohex-1-enecarbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-3-14-13(10-18)9-11(2)15(16(14)17(19)20)12-7-5-4-6-8-12/h4-11,14-16H,3H2,1-2H3/t11-,14+,15-,16-/m0/s1
InChIKey FKOQQLIAFKAMEJ-MWNCTCPHSA-N
Literature Reference DOI 10.1002/adsc.200700396
Molecular Weight 273.332 g/mol
SMILES C1(=C[C@@]([C@]([C@]([C@@]1(CC)[H])([N+](=O)[O-])[H])(c1ccccc1)[H])(C)[H])C=O
SPLASH splash10-066u-2900000000-70858905dcc2b56c524b
Source of Spectrum ASC-350-267/SM9-6ae
Synonyms (1S,2S,3R,6S)-3-ethyl-6-methyl-2-nitro-1,2,3,6-tetrahydro-[1,1'-biphenyl]-4-carbaldehyde
Wiley ID 1766013