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3,6-Diphenyl-2-(1'-cyanocyclohexyl)-1-oxa-2,5-diaza-4-oxocyclohexane
SpectraBase Compound ID 6AxaqDutTF5
InChI InChI=1S/C22H23N3O2/c23-16-22(14-8-3-9-15-22)25-19(17-10-4-1-5-11-17)20(26)24-21(27-25)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,21H,3,8-9,14-15H2,(H,24,26)/t19-,21+/m1/s1
InChIKey WBCHGHINWSSWSA-CTNGQTDRSA-N
Mol Weight 361.45 g/mol
Molecular Formula C22H23N3O2
Exact Mass 361.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Xz08g0Xp2
Name 3,6-Diphenyl-2-(1'-cyanocyclohexyl)-1-oxa-2,5-diaza-4-oxocyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N3O2
InChI InChI=1S/C22H23N3O2/c23-16-22(14-8-3-9-15-22)25-19(17-10-4-1-5-11-17)20(26)24-21(27-25)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,21H,3,8-9,14-15H2,(H,24,26)/t19-,21+/m1/s1
InChIKey WBCHGHINWSSWSA-CTNGQTDRSA-N
Molecular Weight 361.445 g/mol
SMILES N1C([C@](N(O[C@]1(c1ccccc1)[H])C1(C#N)CCCCC1)(c1ccccc1)[H])=O
SPLASH splash10-06di-1961000000-8e6fca7e0cfb3a4e0631
Source of Spectrum F-52-7595-3
Synonyms 1-((3R,6S)-4-Oxo-3,6-diphenyl-[1,2,5]oxadiazinan-2-yl)-cyclohexanecarbonitrile
Wiley ID 796798