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6-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYLMETHYL]-4-(2-METHYLPHENYL)-2-METHANESULFONYL-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO-[4,5-B]-[1,5]-OXAZOCIN-5-ONE

View entire compound with spectra: 1 NMR

6-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYLMETHYL]-4-(2-METHYLPHENYL)-2-METHANESULFONYL-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO-[4,5-B]-[1,5]-OXAZOCIN-5-ONE
SpectraBase Compound ID 9112EaE8C3J
InChI InChI=1S/C25H21F6N3O4S/c1-14-6-3-4-7-18(14)20-19-21(33-23(32-20)39(2,36)37)38-9-5-8-34(22(19)35)13-15-10-16(24(26,27)28)12-17(11-15)25(29,30)31/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3
InChIKey ZHUSQIHZNKPFQY-UHFFFAOYSA-N
Mol Weight 573.51 g/mol
Molecular Formula C25H21F6N3O4S
Exact Mass 573.115696 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InfUekv3p5Q
Name 6-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYLMETHYL]-4-(2-METHYLPHENYL)-2-METHANESULFONYL-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO-[4,5-B]-[1,5]-OXAZOCIN-5-ONE
Compound Number 7
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H21F6N3O4S
InChI InChI=1S/C25H21F6N3O4S/c1-14-6-3-4-7-18(14)20-19-21(33-23(32-20)39(2,36)37)38-9-5-8-34(22(19)35)13-15-10-16(24(26,27)28)12-17(11-15)25(29,30)31/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3
InChIKey ZHUSQIHZNKPFQY-UHFFFAOYSA-N
Literature Reference Author I.ARAYA,S.KANAZAWA,H.AKITA
Literature Reference Citation CHEM.PHARM.BULL.,56,176(2008)
Literature Reference DOI 10.1248/cpb.56.176
Molecular Weight 573.510 g/mol
Sample ID 1262
Solvent DMSO-D6