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rac-(3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyl-5-(5-methylthiophen-2-yl)octahydrobenzo[c]Isoxazole
SpectraBase Compound ID 1OL4Yy0mbRa
InChI InChI=1S/C17H27NOS/c1-11-9-17(5,14-8-7-12(2)20-14)10-13-15(11)18(6)19-16(13,3)4/h7-8,11,13,15H,9-10H2,1-6H3/t11-,13+,15+,17+/m0/s1
InChIKey KYOAPEREFVGSBS-BYMSMCERSA-N
Mol Weight 293.47 g/mol
Molecular Formula C17H27NOS
Exact Mass 293.181336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wvX9aqfFZA
Name rac-(3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyl-5-(5-methylthiophen-2-yl)octahydrobenzo[c]Isoxazole
Appearance Pale yellow oil
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Formula C17H27NOS
InChI InChI=1S/C17H27NOS/c1-11-9-17(5,14-8-7-12(2)20-14)10-13-15(11)18(6)19-16(13,3)4/h7-8,11,13,15H,9-10H2,1-6H3/t11-,13+,15+,17+/m0/s1
InChIKey KYOAPEREFVGSBS-BYMSMCERSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 293.469 g/mol
SMILES C1(ON([C@]2([C@]1(C[C@@](C[C@@]2(C)[H])(c1sc(cc1)C)C)[H])[H])C)(C)C
SPLASH splash10-001j-1910000000-ca37337e3fd7cc96c3f0
Source of Spectrum CN114761385A
Wiley ID 1884407