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4-(4,4-Dimethyl-4,5-dihydro-2-oxazolinyl)-3-phenyl-5-[2-(phenylthio)propyl]isoxazole

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

4-(4,4-Dimethyl-4,5-dihydro-2-oxazolinyl)-3-phenyl-5-[2-(phenylthio)propyl]isoxazole
SpectraBase Compound ID HZDWBfFlmWI
InChI InChI=1S/C23H24N2O2S/c1-16(28-18-12-8-5-9-13-18)14-19-20(22-24-23(2,3)15-26-22)21(25-27-19)17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3
InChIKey KLSKWWUTVMRDBZ-UHFFFAOYSA-N
Mol Weight 392.52 g/mol
Molecular Formula C23H24N2O2S
Exact Mass 392.155849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BD7CVwWbUn6
Name 4-(4,4-Dimethyl-4,5-dihydro-2-oxazolinyl)-3-phenyl-5-[2-(phenylthio)propyl]isoxazole
Comments Computed using HOSE algorithm
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Exact Mass 392.155849193 u
Formula C23H24N2O2S
InChI InChI=1S/C23H24N2O2S/c1-16(28-18-12-8-5-9-13-18)14-19-20(22-24-23(2,3)15-26-22)21(25-27-19)17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3
InChIKey KLSKWWUTVMRDBZ-UHFFFAOYSA-N
Molecular Weight 392.517 g/mol
SMILES C1(=NOC(=C1C=1OCC(N1)(C)C)CC(C)SC=1C=CC=CC1)C=1C=CC=CC1