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rac-(3aR,5R,7S,7aR)-5-(2,5-dimethylphenyl)-1,3,3,7-tetramethyloctahydrobenzo[c]isoxazole
SpectraBase Compound ID IVEMW02tvpt
InChI InChI=1S/C19H29NO/c1-12-7-8-13(2)16(9-12)15-10-14(3)18-17(11-15)19(4,5)21-20(18)6/h7-9,14-15,17-18H,10-11H2,1-6H3/t14-,15+,17+,18+/m0/s1
InChIKey JGIBYYBSLITRIY-BURFUSLBSA-N
Mol Weight 287.45 g/mol
Molecular Formula C19H29NO
Exact Mass 287.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiHHVqSCkH9
Name rac-(3aR,5R,7S,7aR)-5-(2,5-dimethylphenyl)-1,3,3,7-tetramethyloctahydrobenzo[c]isoxazole
Appearance Yellow oil
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Formula C19H29NO
InChI InChI=1S/C19H29NO/c1-12-7-8-13(2)16(9-12)15-10-14(3)18-17(11-15)19(4,5)21-20(18)6/h7-9,14-15,17-18H,10-11H2,1-6H3/t14-,15+,17+,18+/m0/s1
InChIKey JGIBYYBSLITRIY-BURFUSLBSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 287.447 g/mol
SMILES [C@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])(c1cc(ccc1C)C)[H]
SPLASH splash10-000i-4960000000-20691a2751a60383d56a
Source of Spectrum CN114761385A
Wiley ID 1884443