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rac-(3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyl-5-(2-methyl-5-(trifluoromethyl)phenyl)octaHydrobenzo[c]isoxazole
SpectraBase Compound ID LBiRiKaMwXG
InChI InChI=1S/C20H28F3NO/c1-12-7-8-14(20(21,22)23)9-15(12)19(5)10-13(2)17-16(11-19)18(3,4)25-24(17)6/h7-9,13,16-17H,10-11H2,1-6H3/t13-,16+,17+,19+/m0/s1
InChIKey JXKFJHHTLLXLLI-CNDLSXRNSA-N
Mol Weight 355.45 g/mol
Molecular Formula C20H28F3NO
Exact Mass 355.212299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3clVboVvSE
Name rac-(3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyl-5-(2-methyl-5-(trifluoromethyl)phenyl)octaHydrobenzo[c]isoxazole
Appearance Yellow oil
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Formula C20H28F3NO
InChI InChI=1S/C20H28F3NO/c1-12-7-8-14(20(21,22)23)9-15(12)19(5)10-13(2)17-16(11-19)18(3,4)25-24(17)6/h7-9,13,16-17H,10-11H2,1-6H3/t13-,16+,17+,19+/m0/s1
InChIKey JXKFJHHTLLXLLI-CNDLSXRNSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 355.445 g/mol
SMILES C1(ON([C@]2([C@]1(C[C@@](C[C@@]2(C)[H])(c1c(ccc(c1)C(F)(F)F)C)C)[H])[H])C)(C)C
SPLASH splash10-0kdr-3913000000-f383c922736bdd301e66
Source of Spectrum CN114761385A
Wiley ID 1884405