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rac-(3aR,5R,7S,7aR)-1-isopropyl-3,3,7-trimethyl-5-(o-tolyl)octahydrobenzo[c]isoxazole
SpectraBase Compound ID 7eErLKA23wU
InChI InChI=1S/C20H31NO/c1-13(2)21-19-15(4)11-16(12-18(19)20(5,6)22-21)17-10-8-7-9-14(17)3/h7-10,13,15-16,18-19H,11-12H2,1-6H3/t15-,16+,18+,19+/m0/s1
InChIKey LKCQBKPMIPTNLO-QFHJOOASSA-N
Mol Weight 301.47 g/mol
Molecular Formula C20H31NO
Exact Mass 301.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4g4ZH7TQWjt
Name rac-(3aR,5R,7S,7aR)-1-isopropyl-3,3,7-trimethyl-5-(o-tolyl)octahydrobenzo[c]isoxazole
Appearance Pale yellow oil
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Formula C20H31NO
InChI InChI=1S/C20H31NO/c1-13(2)21-19-15(4)11-16(12-18(19)20(5,6)22-21)17-10-8-7-9-14(17)3/h7-10,13,15-16,18-19H,11-12H2,1-6H3/t15-,16+,18+,19+/m0/s1
InChIKey LKCQBKPMIPTNLO-QFHJOOASSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 301.474 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)(C)C
SPLASH splash10-0udr-0942000000-413ed1eefb39dd16589a
Source of Spectrum CN114761385A
Wiley ID 1884454