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rac-2-(1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile
SpectraBase Compound ID CuNE7cktgv3
InChI InChI=1S/C19H26N2O/c1-13-10-19(4,15-9-7-6-8-14(15)12-20)11-16-17(13)21(5)22-18(16,2)3/h6-9,13,16-17H,10-11H2,1-5H3
InChIKey WIFFMNLXYHCKSV-UHFFFAOYSA-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 7FC7IGADyKL
Name rac-2-(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(4,15-9-7-6-8-14(15)12-20)11-16-17(13)21(5)22-18(16,2)3/h6-9,13,16-17H,10-11H2,1-5H3
InChIKey WIFFMNLXYHCKSV-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 298.430 g/mol
SMILES C1(ON(C2C1CC(CC2C)(c1c(cccc1)C#N)C)C)(C)C
SPLASH splash10-004j-4930000000-c4618429ae54797cb4d3
Sample Comments Isomer 3
Source of Spectrum CN114761385A
Wiley ID 1884427