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rac-(3aR,5R,7S,7aR)-5-(4-(tert-butyl)phenyl)-1,3,3,7-tetramethyloctahydrobenzo[c]isoxazole
SpectraBase Compound ID CC7G0heIrto
InChI InChI=1S/C21H33NO/c1-14-12-16(13-18-19(14)22(7)23-21(18,5)6)15-8-10-17(11-9-15)20(2,3)4/h8-11,14,16,18-19H,12-13H2,1-7H3/t14-,16+,18+,19+/m0/s1
InChIKey BNUWMJLCTRBULT-RGIVZKHGSA-N
Mol Weight 315.5 g/mol
Molecular Formula C21H33NO
Exact Mass 315.256215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGV7QlneSfb
Name rac-(3aR,5R,7S,7aR)-5-(4-(tert-butyl)phenyl)-1,3,3,7-tetramethyloctahydrobenzo[c]isoxazole
Appearance Pale yellow oil
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Formula C21H33NO
InChI InChI=1S/C21H33NO/c1-14-12-16(13-18-19(14)22(7)23-21(18,5)6)15-8-10-17(11-9-15)20(2,3)4/h8-11,14,16,18-19H,12-13H2,1-7H3/t14-,16+,18+,19+/m0/s1
InChIKey BNUWMJLCTRBULT-RGIVZKHGSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 315.501 g/mol
SMILES [C@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])(c1ccc(cc1)C(C)(C)C)[H]
SPLASH splash10-0fb9-5902000000-70affc85b09df57f0ebe
Source of Spectrum CN114761385A
Wiley ID 1884437