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3RS-(3.alpha.,4.beta.,5.alpha.)]-3,5-diphenyl-2,6-di-[1-(fur-2-yl) methyliden-4-methyl-4-nitro-1-cyclohexanone
SpectraBase Compound ID 8C3A4oXILSY
InChI InChI=1S/C29H23NO5/c1-29(30(32)33)26(20-10-4-2-5-11-20)24(18-22-14-8-16-34-22)28(31)25(19-23-15-9-17-35-23)27(29)21-12-6-3-7-13-21/h2-19,26-27H,1H3/b24-18-,25-19-/t26-,27+,29+
InChIKey MTUBJBCTLJQNMN-PCJUNEOBSA-N
Mol Weight 465.51 g/mol
Molecular Formula C29H23NO5
Exact Mass 465.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3H3yTwEFYtU
Name 3RS-(3.alpha.,4.beta.,5.alpha.)]-3,5-diphenyl-2,6-di-[1-(fur-2-yl) methyliden-4-methyl-4-nitro-1-cyclohexanone
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H23NO5
InChI InChI=1S/C29H23NO5/c1-29(30(32)33)26(20-10-4-2-5-11-20)24(18-22-14-8-16-34-22)28(31)25(19-23-15-9-17-35-23)27(29)21-12-6-3-7-13-21/h2-19,26-27H,1H3/b24-18-,25-19-/t26-,27+,29+
InChIKey MTUBJBCTLJQNMN-PCJUNEOBSA-N
Ionization Type EI
Molecular Weight 465.505 g/mol
SMILES [C@]1(\C(C(\C([C@@]([C@]1([N+](=O)[O-])C)(c1ccccc1)[H])=C\c1ccco1)=O)=C\c1ccco1)(c1ccccc1)[H]
SPLASH splash10-014i-1400900000-86c6e5ae10563898a3c2
Source of Spectrum PT2054365E
Thin-Layer Chromatography Rf = 0.34 (n-heptane/ethyl acetate, 3:1)
Wiley ID 1852779