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(2.alpha.,3a.alpha.,10b.beta.)-2,3,3a,4,5,10b-Hexahydro-2-phenylfuro[3,2-d][1]benzoxepin-2-carbonitrile
SpectraBase Compound ID 3u1UDyXQDYf
InChI InChI=1S/C19H17NO2/c20-13-19(15-6-2-1-3-7-15)12-14-10-11-21-17-9-5-4-8-16(17)18(14)22-19/h1-9,14,18H,10-12H2/t14-,18-,19+/m1/s1
InChIKey RFOSIEHVQGLDLY-ZMYBRWDISA-N
Mol Weight 291.35 g/mol
Molecular Formula C19H17NO2
Exact Mass 291.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bx4QDrLTfeV
Name (2.alpha.,3a.alpha.,10b.beta.)-2,3,3a,4,5,10b-Hexahydro-2-phenylfuro[3,2-d][1]benzoxepin-2-carbonitrile
Alternate Name(s) (2R,3aR,10bR)-2-phenyl-2,3,3a,4,5,10b-hexahydrofuro[3,2-d][1]benzoxepin-2-carbonitrile
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Formula C19H17NO2
InChI InChI=1S/C19H17NO2/c20-13-19(15-6-2-1-3-7-15)12-14-10-11-21-17-9-5-4-8-16(17)18(14)22-19/h1-9,14,18H,10-12H2/t14-,18-,19+/m1/s1
InChIKey RFOSIEHVQGLDLY-ZMYBRWDISA-N
Molecular Weight 291.350 g/mol
SMILES [C@]1(O[C@@]2([C@@](C1)(CCOc1c2cccc1)[H])[H])(C#N)c1ccccc1
SPLASH splash10-00l6-3950000000-bad55af25d5cdd82ae7b
Source of Spectrum K-117-2184-0
Wiley ID 1294740