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rac-(3aR,5R,7S,7aR)-1,3,3,7-tetramethyl-5-(o-tolyl)octahydrobenzo[c]isoxazole
SpectraBase Compound ID LlZEmVyHAbt
InChI InChI=1S/C18H27NO/c1-12-8-6-7-9-15(12)14-10-13(2)17-16(11-14)18(3,4)20-19(17)5/h6-9,13-14,16-17H,10-11H2,1-5H3/t13-,14+,16+,17+/m0/s1
InChIKey AHCLQKXKUKIIPA-XOSAIJSUSA-N
Mol Weight 273.42 g/mol
Molecular Formula C18H27NO
Exact Mass 273.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IAvWJXlwCc
Name rac-(3aR,5R,7S,7aR)-1,3,3,7-tetramethyl-5-(o-tolyl)octahydrobenzo[c]isoxazole
Appearance Pale yellow oil
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Formula C18H27NO
InChI InChI=1S/C18H27NO/c1-12-8-6-7-9-15(12)14-10-13(2)17-16(11-14)18(3,4)20-19(17)5/h6-9,13-14,16-17H,10-11H2,1-5H3/t13-,14+,16+,17+/m0/s1
InChIKey AHCLQKXKUKIIPA-XOSAIJSUSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 273.420 g/mol
SMILES C1(ON([C@]2([C@]1(C[C@@](C[C@@]2(C)[H])(c1c(cccc1)C)[H])[H])[H])C)(C)C
SPLASH splash10-016r-1910000000-e3324d3c4421f884ae9c
Source of Spectrum CN114761385A
Wiley ID 1884436