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4-Phenyl-5-(4-methylphenyl)-2,2,6,6-tetrakis(trifluoromethyl)-5,6-dihydro-2H-1,3,5-oxadiazine

View entire compound with spectra: 2 NMR

4-Phenyl-5-(4-methylphenyl)-2,2,6,6-tetrakis(trifluoromethyl)-5,6-dihydro-2H-1,3,5-oxadiazine
SpectraBase Compound ID 6sYBwiZLLHk
InChI InChI=1S/C20H12F12N2O/c1-11-7-9-13(10-8-11)34-14(12-5-3-2-4-6-12)33-15(17(21,22)23,18(24,25)26)35-16(34,19(27,28)29)20(30,31)32/h2-10H,1H3
InChIKey OEXUYEDQALJFOK-UHFFFAOYSA-N
Mol Weight 524.31 g/mol
Molecular Formula C20H12F12N2O
Exact Mass 524.075801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5X9Xd5sS8WI
Name 4-Phenyl-5-(4-methylphenyl)-2,2,6,6-tetrakis(trifluoromethyl)-5,6-dihydro-2H-1,3,5-oxadiazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.075800969 u
Formula C20H12F12N2O
InChI InChI=1S/C20H12F12N2O/c1-11-7-9-13(10-8-11)34-14(12-5-3-2-4-6-12)33-15(17(21,22)23,18(24,25)26)35-16(34,19(27,28)29)20(30,31)32/h2-10H,1H3
InChIKey OEXUYEDQALJFOK-UHFFFAOYSA-N
Molecular Weight 524.310 g/mol
SMILES C1(OC(N=C(N1c1ccc(cc1)C)c1ccccc1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F