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rac-(3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyl-5-(4-(methylthio)phenyl)octahydrobenzo[c]Isoxazole
SpectraBase Compound ID CMbOOwTKMwg
InChI InChI=1S/C19H29NOS/c1-13-11-19(4,14-7-9-15(22-6)10-8-14)12-16-17(13)20(5)21-18(16,2)3/h7-10,13,16-17H,11-12H2,1-6H3/t13-,16+,17+,19+/m0/s1
InChIKey ZOIRILGTASWVDR-CNDLSXRNSA-N
Mol Weight 319.51 g/mol
Molecular Formula C19H29NOS
Exact Mass 319.196986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TbXEvmxobJ
Name rac-(3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyl-5-(4-(methylthio)phenyl)octahydrobenzo[c]Isoxazole
Appearance Yellow oil
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Formula C19H29NOS
InChI InChI=1S/C19H29NOS/c1-13-11-19(4,14-7-9-15(22-6)10-8-14)12-16-17(13)20(5)21-18(16,2)3/h7-10,13,16-17H,11-12H2,1-6H3/t13-,16+,17+,19+/m0/s1
InChIKey ZOIRILGTASWVDR-CNDLSXRNSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 319.507 g/mol
SMILES C1(ON([C@]2([C@]1(C[C@@](C[C@@]2(C)[H])(c1ccc(cc1)SC)C)[H])[H])C)(C)C
SPLASH splash10-017r-2902000000-ddf67a76527c4d3c989a
Source of Spectrum CN114761385A
Wiley ID 1884401