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(3R,5R)-2-Methyl-3-phenyl-5-hexylisooxazolidine

View entire compound with spectra: 1 NMR, and 2 MS (GC)

(3R,5R)-2-Methyl-3-phenyl-5-hexylisooxazolidine
SpectraBase Compound ID KFNA9rBwf98
InChI InChI=1S/C16H25NO/c1-3-4-5-9-12-15-13-16(17(2)18-15)14-10-7-6-8-11-14/h6-8,10-11,15-16H,3-5,9,12-13H2,1-2H3/t15-,16+/m0/s1
InChIKey BXTMUFOLECFRCQ-JKSUJKDBSA-N
Mol Weight 247.38 g/mol
Molecular Formula C16H25NO
Exact Mass 247.193614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6yKCx6JwSxc
Name (3R,5R)-2-Methyl-3-phenyl-5-hexylisooxazolidine
Comments Computed using HOSE algorithm
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Exact Mass 247.193614428 u
Formula C16H25NO
InChI InChI=1S/C16H25NO/c1-3-4-5-9-12-15-13-16(17(2)18-15)14-10-7-6-8-11-14/h6-8,10-11,15-16H,3-5,9,12-13H2,1-2H3/t15-,16+/m0/s1
InChIKey BXTMUFOLECFRCQ-JKSUJKDBSA-N
Molecular Weight 247.382 g/mol
SMILES [C@@]1(ON([C@](C1)(C=1C=CC=CC1)[H])C)(CCCCCC)[H]