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rac-(3aR,5R,7R,7aR)-1,3,3,5,7-pentamethyl-5-(2-(methylthio)phenyl)octahydrobenzo[c]Isoxazole
SpectraBase Compound ID 5hnFfnUGxsn
InChI InChI=1S/C19H29NOS/c1-13-11-19(4,14-9-7-8-10-16(14)22-6)12-15-17(13)20(5)21-18(15,2)3/h7-10,13,15,17H,11-12H2,1-6H3/t13-,15-,17-,19-/m1/s1
InChIKey FRHOAXTUSATMBY-LRCYWBKYSA-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 4aYCrzOfg40
Name rac-(3aR,5R,7R,7aR)-1,3,3,5,7-pentamethyl-5-(2-(methylthio)phenyl)octahydrobenzo[c]Isoxazole
Appearance Pale yellow oil
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Formula C19H29NOS
InChI InChI=1S/C19H29NOS/c1-13-11-19(4,14-9-7-8-10-16(14)22-6)12-15-17(13)20(5)21-18(15,2)3/h7-10,13,15,17H,11-12H2,1-6H3/t13-,15-,17-,19-/m1/s1
InChIKey FRHOAXTUSATMBY-LRCYWBKYSA-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])(c1c(cccc1)SC)C)[H])[H])C)(C)C
SPLASH splash10-00n0-5913000000-9bf0f405639412d08eb4
Source of Spectrum CN114761385A
Wiley ID 1884408