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rac-4-((3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile
SpectraBase Compound ID LTX52GrZ8s2
InChI InChI=1S/C19H26N2O/c1-13-10-19(4,15-8-6-14(12-20)7-9-15)11-16-17(13)21(5)22-18(16,2)3/h6-9,13,16-17H,10-11H2,1-5H3/t13-,16+,17+,19+/m0/s1
InChIKey YNOMTWMUNXTHKO-CNDLSXRNSA-N
Mol Weight 298.43 g/mol
Molecular Formula C19H26N2O
Exact Mass 298.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSl1NgjypsE
Name rac-4-((3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile
Appearance Pale yellow oil
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Formula C19H26N2O
InChI InChI=1S/C19H26N2O/c1-13-10-19(4,15-8-6-14(12-20)7-9-15)11-16-17(13)21(5)22-18(16,2)3/h6-9,13,16-17H,10-11H2,1-5H3/t13-,16+,17+,19+/m0/s1
InChIKey YNOMTWMUNXTHKO-CNDLSXRNSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 298.430 g/mol
SMILES C1(ON([C@]2([C@]1(C[C@@](C[C@@]2(C)[H])(c1ccc(cc1)C#N)C)[H])[H])C)(C)C
SPLASH splash10-016s-7920000000-bde568cde45732b7121b
Source of Spectrum CN114761385A
Wiley ID 1884375