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(S,S,R,R,S)-(+)-[N-(2,2-Dimethyl-4-phenyl-1,2-dioxan-5-yl)-N-methylamino].alpha.-phenyl.alpha.-(2-benzyl-3-oxocyclohexyl)acetonitrile

View entire compound with spectra: 1 MS (GC)

(S,S,R,R,S)-(+)-[N-(2,2-Dimethyl-4-phenyl-1,2-dioxan-5-yl)-N-methylamino].alpha.-phenyl.alpha.-(2-benzyl-3-oxocyclohexyl)acetonitrile
SpectraBase Compound ID JSruuGKzmDo
InChI InChI=1S/C34H38N2O3/c1-33(2)38-23-30(32(39-33)26-16-9-5-10-17-26)36(3)34(24-35,27-18-11-6-12-19-27)29-20-13-21-31(37)28(29)22-25-14-7-4-8-15-25/h4-12,14-19,28-30,32H,13,20-23H2,1-3H3/t28-,29+,30-,32-,34-/m0/s1
InChIKey IHCDVPAKNXODPI-HMSSNPQTSA-N
Mol Weight 522.7 g/mol
Molecular Formula C34H38N2O3
Exact Mass 522.288243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTijqMadu3a
Name (S,S,R,R,S)-(+)-[N-(2,2-Dimethyl-4-phenyl-1,2-dioxan-5-yl)-N-methylamino].alpha.-phenyl.alpha.-(2-benzyl-3-oxocyclohexyl)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H38N2O3
InChI InChI=1S/C34H38N2O3/c1-33(2)38-23-30(32(39-33)26-16-9-5-10-17-26)36(3)34(24-35,27-18-11-6-12-19-27)29-20-13-21-31(37)28(29)22-25-14-7-4-8-15-25/h4-12,14-19,28-30,32H,13,20-23H2,1-3H3/t28-,29+,30-,32-,34-/m0/s1
InChIKey IHCDVPAKNXODPI-HMSSNPQTSA-N
Molecular Weight 522.689 g/mol
SMILES [C@@](N([C@@]1([C@@](OC(OC1)(C)C)(c1ccccc1)[H])[H])C)([C@]1([C@@](C(=O)CCC1)(Cc1ccccc1)[H])[H])(C#N)c1ccccc1
SPLASH splash10-0006-9510100000-4a7070d7418fe8af230f
Source of Spectrum SO-0-662-4
Synonyms (2R)-[(1R,2S)-2-benzyl-3-oxocyclohexyl][[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl](methyl)amino]phenylethanenitrile
Wiley ID 873052