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(1.alpha.,4.alpha.,4a.alpha.)-1,4,4a,9-Tetrahydro-1-methyl-4-t-butyl-1,4-epoxyphenanthrene
SpectraBase Compound ID PkXxudnusX
InChI InChI=1S/C19H22O/c1-17(2,3)19-12-11-18(4,20-19)15-10-9-13-7-5-6-8-14(13)16(15)19/h5-8,10-12,16H,9H2,1-4H3/t16-,18+,19-/m1/s1
InChIKey IGLVGXNQPHRETF-NZSAHSFTSA-N
Mol Weight 266.38 g/mol
Molecular Formula C19H22O
Exact Mass 266.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPTfpFgBTf2
Name (1.alpha.,4.alpha.,4a.alpha.)-1,4,4a,9-Tetrahydro-1-methyl-4-t-butyl-1,4-epoxyphenanthrene
Alternate Name(s) (1R,2R,12S)-1-tert-butyl-12-methyl-15-oxatetracyclo[10.2.1.0(2,11).0(3,8)]pentadeca-3,5,7,10,13-pentaene
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Formula C19H22O
InChI InChI=1S/C19H22O/c1-17(2,3)19-12-11-18(4,20-19)15-10-9-13-7-5-6-8-14(13)16(15)19/h5-8,10-12,16H,9H2,1-4H3/t16-,18+,19-/m1/s1
InChIKey IGLVGXNQPHRETF-NZSAHSFTSA-N
Molecular Weight 266.384 g/mol
SMILES [C@@]12([C@]3(C(=CCc4c3cccc4)[C@](O2)(C)C=C1)[H])C(C)(C)C
SPLASH splash10-00ls-1910000000-6e3e180a0594c6b1fb91
Source of Spectrum K1-0-5053-6
Wiley ID 1589816