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4-(4-Methoxymethyl-5-phenyl-4,5-dihydro-2-oxazolinyl)-3-phenyl-5-di(phenylthio)methylisoxazole

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4-(4-Methoxymethyl-5-phenyl-4,5-dihydro-2-oxazolinyl)-3-phenyl-5-di(phenylthio)methylisoxazole
SpectraBase Compound ID DFPDxxg9NH2
InChI InChI=1S/C33H28N2O3S2/c1-36-22-27-30(24-16-8-3-9-17-24)37-32(34-27)28-29(23-14-6-2-7-15-23)35-38-31(28)33(39-25-18-10-4-11-19-25)40-26-20-12-5-13-21-26/h2-21,27,30,33H,22H2,1H3
InChIKey RZONPFFOADUINF-UHFFFAOYSA-N
Mol Weight 564.7 g/mol
Molecular Formula C33H28N2O3S2
Exact Mass 564.154135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KvpsAa8CCN
Name 4-(4-Methoxymethyl-5-phenyl-4,5-dihydro-2-oxazolinyl)-3-phenyl-5-di(phenylthio)methylisoxazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 564.154135115 u
Formula C33H28N2O3S2
InChI InChI=1S/C33H28N2O3S2/c1-36-22-27-30(24-16-8-3-9-17-24)37-32(34-27)28-29(23-14-6-2-7-15-23)35-38-31(28)33(39-25-18-10-4-11-19-25)40-26-20-12-5-13-21-26/h2-21,27,30,33H,22H2,1H3
InChIKey RZONPFFOADUINF-UHFFFAOYSA-N
Molecular Weight 564.718 g/mol
SMILES C1(=NOC(=C1C=1OC(C(N1)COC)C=1C=CC=CC1)C(SC=1C=CC=CC1)SC=1C=CC=CC1)C=1C=CC=CC1