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rac-(3aR,5R,7S,7aR)-1-ethyl-3,3,5,7-tetramethyl-5-(o-tolyl)octahydrobenzo[c]isoxazole
SpectraBase Compound ID BgqzhYGH3aT
InChI InChI=1S/C20H31NO/c1-7-21-18-15(3)12-20(6,13-17(18)19(4,5)22-21)16-11-9-8-10-14(16)2/h8-11,15,17-18H,7,12-13H2,1-6H3/t15-,17+,18+,20+/m0/s1
InChIKey JARKEKQGLJENJW-ZCDKGFTFSA-N
Mol Weight 301.47 g/mol
Molecular Formula C20H31NO
Exact Mass 301.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DTEWKZm66X
Name rac-(3aR,5R,7S,7aR)-1-ethyl-3,3,5,7-tetramethyl-5-(o-tolyl)octahydrobenzo[c]isoxazole
Appearance Pale yellow oil
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Formula C20H31NO
InChI InChI=1S/C20H31NO/c1-7-21-18-15(3)12-20(6,13-17(18)19(4,5)22-21)16-11-9-8-10-14(16)2/h8-11,15,17-18H,7,12-13H2,1-6H3/t15-,17+,18+,20+/m0/s1
InChIKey JARKEKQGLJENJW-ZCDKGFTFSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 301.474 g/mol
SMILES C(N1OC([C@]2([C@]1([C@](C[C@](C2)(c1c(cccc1)C)C)(C)[H])[H])[H])(C)C)C
SPLASH splash10-001r-1940000000-848f09a1380a8cbbfae6
Source of Spectrum CN114761385A
Wiley ID 1884586