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rac-(3aS,5R,7R,7aS)-1-isopropyl-3,3,5,7-tetramethyl-5-phenyloctahydrobenzo[c]isoxazole
SpectraBase Compound ID Zqk9FX9gVr
InChI InChI=1S/C20H31NO/c1-14(2)21-18-15(3)12-20(6,16-10-8-7-9-11-16)13-17(18)19(4,5)22-21/h7-11,14-15,17-18H,12-13H2,1-6H3/t15-,17+,18+,20-/m1/s1
InChIKey XFXGTFWPNXFJDU-HGKSCXNLSA-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 GFfnrsvjdao
Name rac-(3aS,5R,7R,7aS)-1-isopropyl-3,3,5,7-tetramethyl-5-phenyloctahydrobenzo[c]isoxazole
Appearance Pale yellow oil
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Formula C20H31NO
InChI InChI=1S/C20H31NO/c1-14(2)21-18-15(3)12-20(6,16-10-8-7-9-11-16)13-17(18)19(4,5)22-21/h7-11,14-15,17-18H,12-13H2,1-6H3/t15-,17+,18+,20-/m1/s1
InChIKey XFXGTFWPNXFJDU-HGKSCXNLSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 301.474 g/mol
SMILES C(N1OC([C@@]2([C@@]1([C@@](C[C@](C2)(c1ccccc1)C)(C)[H])[H])[H])(C)C)(C)C
SPLASH splash10-0udr-1952000000-f2767b413b6ebaa6989a
Source of Spectrum CN114761385A
Wiley ID 1884373