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2,3,6,7,8,8a-Hexahydro-5-pentyl-2-phenyl-5H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile
SpectraBase Compound ID 3qfpFCBGn8i
InChI InChI=1S/C19H26N2O/c1-2-3-7-12-19(15-20)13-8-11-18-21(19)17(14-22-18)16-9-5-4-6-10-16/h4-6,9-10,17-18H,2-3,7-8,11-14H2,1H3/t17-,18+,19-/m0/s1
InChIKey BXUKVSXGQOPWRT-OTWHNJEPSA-N
Mol Weight 298.43 g/mol
Molecular Formula C19H26N2O
Exact Mass 298.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gcr0ssP0uvB
Name 2,3,6,7,8,8a-Hexahydro-5-pentyl-2-phenyl-5H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile
Alternate Name(s) 2,3,6,7,8,8a-Hexahydro-5-pentyl-3-phenyl-5H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile 5-Pentyl-2-phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile (3R,5S,8aR)-5-pentyl-3-phenyl-2,3,6,7,8,8a-hexahydrooxazolo[3,2-a]pyridine-5-carbonitrile (3R,5S,8aR)-5-pentyl-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile
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Formula C19H26N2O
InChI InChI=1S/C19H26N2O/c1-2-3-7-12-19(15-20)13-8-11-18-21(19)17(14-22-18)16-9-5-4-6-10-16/h4-6,9-10,17-18H,2-3,7-8,11-14H2,1H3/t17-,18+,19-/m0/s1
InChIKey BXUKVSXGQOPWRT-OTWHNJEPSA-N
Molecular Weight 298.430 g/mol
SMILES [C@]1(N2[C@](OC1)(CCC[C@]2(C#N)CCCCC)[H])(c1ccccc1)[H]
SPLASH splash10-0udi-3790000000-1109a9f5dada9035e729
Source of Spectrum K1-2000-2060-3
Wiley ID 750216