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rac-1,3,3,5,7-pentamethyl-5-(4-methylpyridin-3-yl)octahydrobenzo[c]isoxazole
SpectraBase Compound ID JkkQ31Yuxmv
InChI InChI=1S/C18H28N2O/c1-12-7-8-19-11-15(12)18(5)9-13(2)16-14(10-18)17(3,4)21-20(16)6/h7-8,11,13-14,16H,9-10H2,1-6H3
InChIKey YAORGMSTUDKQGV-UHFFFAOYSA-N
Mol Weight 288.44 g/mol
Molecular Formula C18H28N2O
Exact Mass 288.220164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wzjLZqpFB8
Name rac-1,3,3,5,7-pentamethyl-5-(4-methylpyridin-3-yl)octahydrobenzo[c]isoxazole
Appearance Pale yellow oil
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Formula C18H28N2O
InChI InChI=1S/C18H28N2O/c1-12-7-8-19-11-15(12)18(5)9-13(2)16-14(10-18)17(3,4)21-20(16)6/h7-8,11,13-14,16H,9-10H2,1-6H3
InChIKey YAORGMSTUDKQGV-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 288.435 g/mol
SMILES C1(ON(C2C1CC(CC2C)(c1cnccc1C)C)C)(C)C
SPLASH splash10-001r-1990000000-0b7edfe1424e5bfb1ed2
Sample Comments Isomer 1
Source of Spectrum CN114761385A
Wiley ID 1884423