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7-Butyl-2-cyano-12-phenyl-1,8-diaza-14-oxatricyclo[8.4.0(6,7)0(1,6)]tetradecane
SpectraBase Compound ID 9pWlvgobXhs
InChI InChI=1S/C22H31N3O/c1-2-3-14-22-21(13-8-15-24-22)12-7-11-19(16-23)25(21)20(17-26-22)18-9-5-4-6-10-18/h4-6,9-10,19-20,24H,2-3,7-8,11-15,17H2,1H3/t19-,20-,21+,22-/m1/s1
InChIKey PEBSZKKGICPLDA-YUMYIRISSA-N
Mol Weight 353.51 g/mol
Molecular Formula C22H31N3O
Exact Mass 353.246713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJECm1IeuBt
Name 7-Butyl-2-cyano-12-phenyl-1,8-diaza-14-oxatricyclo[8.4.0(6,7)0(1,6)]tetradecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31N3O
InChI InChI=1S/C22H31N3O/c1-2-3-14-22-21(13-8-15-24-22)12-7-11-19(16-23)25(21)20(17-26-22)18-9-5-4-6-10-18/h4-6,9-10,19-20,24H,2-3,7-8,11-15,17H2,1H3/t19-,20-,21+,22-/m1/s1
InChIKey PEBSZKKGICPLDA-YUMYIRISSA-N
Molecular Weight 353.510 g/mol
SMILES N1CCC[C@]23[C@]1(OC[C@@](N3[C@@](C#N)(CCC2)[H])(c1ccccc1)[H])CCCC
SPLASH splash10-0udi-0903000000-0293c569c4e66cf9e002
Source of Spectrum J-58-6455-12
Wiley ID 1344095