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[(4R,5S)-3-phenyl-5-propyl-2-isoxazolin-4-yl]methanol
SpectraBase Compound ID 4teHl1gWECS
InChI InChI=1S/C13H17NO2/c1-2-6-12-11(9-15)13(14-16-12)10-7-4-3-5-8-10/h3-5,7-8,11-12,15H,2,6,9H2,1H3/t11-,12+/m1/s1
InChIKey LLPYXXIVMRMICF-NEPJUHHUSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cHNv8IkW8d
Name [(4R,5S)-3-phenyl-5-propyl-2-isoxazolin-4-yl]methanol
Alternate Name(s) [(4R,5S)-3-phenyl-5-propyl-4,5-dihydro-1,2-oxazol-4-yl]methanol [(4R,5S)-3-phenyl-5-propyl-4,5-dihydroisoxazol-4-yl]methanol
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Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-2-6-12-11(9-15)13(14-16-12)10-7-4-3-5-8-10/h3-5,7-8,11-12,15H,2,6,9H2,1H3/t11-,12+/m1/s1
InChIKey LLPYXXIVMRMICF-NEPJUHHUSA-N
Molecular Weight 219.284 g/mol
SMILES OC[C@]1(C(=NO[C@]1(CCC)[H])c1ccccc1)[H]
SPLASH splash10-002b-3910000000-239d96c23e75ef511675
Source of Spectrum QA-47-194-4
Wiley ID 863273