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(R,S)-(+)-(8-Pentyl-1-aza-9-oxabicyclo[4.3.0]non-7-en-7-yl)p-tolylsulfoxide

View entire compound with spectra: 2 MS (GC)

(R,S)-(+)-(8-Pentyl-1-aza-9-oxabicyclo[4.3.0]non-7-en-7-yl)p-tolylsulfoxide
SpectraBase Compound ID 82wKn7WDCab
InChI InChI=1S/C19H27NO2S/c1-3-4-5-9-18-19(17-8-6-7-14-20(17)22-18)23(21)16-12-10-15(2)11-13-16/h10-13,17H,3-9,14H2,1-2H3/t17-,23?/m0/s1
InChIKey SHIHKEKOYZIQBC-NVHKAFQKSA-N
Mol Weight 333.49 g/mol
Molecular Formula C19H27NO2S
Exact Mass 333.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dbh2v2NBoBN
Name (3aS)-2-amyl-3-[(S)-p-tolylsulfinyl]-4,5,6,7-tetrahydro-3aH-isoxazolo[2,3-a]pyridine
Alternate Name(s) (3aS)-2-pentyl-3-[(S)-p-tolylsulfinyl]-4,5,6,7-tetrahydro-3aH-isoxazolo[2,3-a]pyridine (3aS)-3-[(S)-(4-methylphenyl)sulfinyl]-2-pentyl-4,5,6,7-tetrahydro-3aH-isoxazolo[2,3-a]pyridine (3aS)-3-[(S)-(4-methylphenyl)sulfinyl]-2-pentyl-4,5,6,7-tetrahydro-3aH-[1,2]oxazolo[2,3-a]pyridine
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Formula C19H27NO2S
InChI InChI=1S/C19H27NO2S/c1-3-4-5-9-18-19(17-8-6-7-14-20(17)22-18)23(21)16-12-10-15(2)11-13-16/h10-13,17H,3-9,14H2,1-2H3/t17-,23?/m0/s1
InChIKey SHIHKEKOYZIQBC-NVHKAFQKSA-N
Molecular Weight 333.490 g/mol
SMILES C1(=C(ON2[C@]1(CCCC2)[H])CCCCC)[S@](c1ccc(cc1)C)=O
SPLASH splash10-0072-5941000000-40caa6843737a75fafe9
Source of Spectrum F-51-1423-10
Wiley ID 790678