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rac-4-methyl-3-((3aS,5R,7R,7aS)-1,3,3, 5,7-Pentamethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile
SpectraBase Compound ID Elm4nT0FfSb
InChI InChI=1S/C20H28N2O/c1-13-7-8-15(12-21)9-16(13)20(5)10-14(2)18-17(11-20)19(3,4)23-22(18)6/h7-9,14,17-18H,10-11H2,1-6H3/t14-,17+,18+,20-/m1/s1
InChIKey AKDBIKXYHXHEGJ-QBMUGXQSSA-N
Mol Weight 312.46 g/mol
Molecular Formula C20H28N2O
Exact Mass 312.220164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mlCqybETg
Name rac-4-methyl-3-((3aS,5R,7R,7aS)-1,3,3, 5,7-Pentamethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2O
InChI InChI=1S/C20H28N2O/c1-13-7-8-15(12-21)9-16(13)20(5)10-14(2)18-17(11-20)19(3,4)23-22(18)6/h7-9,14,17-18H,10-11H2,1-6H3/t14-,17+,18+,20-/m1/s1
InChIKey AKDBIKXYHXHEGJ-QBMUGXQSSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 312.457 g/mol
SMILES c1(c(cc(C#N)cc1)[C@]1(C[C@]2([C@@](N(OC2(C)C)C)([C@@](C1)(C)[H])[H])[H])C)C
SPLASH splash10-01ri-8912000000-9b953d84b66c57a37b8d
Source of Spectrum CN114761385A
Wiley ID 1884583