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(2R,A-2-alpha-R)-4-Benzyl-[1-[3,5-bis-(trifluoromethyl)-phenyl]-ethoxy]-1,4-oxazin-3-one

View entire compound with spectra: 2 NMR

(2R,A-2-alpha-R)-4-Benzyl-[1-[3,5-bis-(trifluoromethyl)-phenyl]-ethoxy]-1,4-oxazin-3-one
SpectraBase Compound ID 7R4IZSRC7hV
InChI InChI=1S/C21H19F6NO3/c1-13(15-9-16(20(22,23)24)11-17(10-15)21(25,26)27)31-19-18(29)28(7-8-30-19)12-14-5-3-2-4-6-14/h2-6,9-11,13,19H,7-8,12H2,1H3/t13-,19+/m1/s1
InChIKey KVPJNHLVRGUYGQ-YJYMSZOUSA-N
Mol Weight 447.38 g/mol
Molecular Formula C21H19F6NO3
Exact Mass 447.126912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17A4hYWpKSn
Name (2R,A-2-alpha-R)-4-Benzyl-[1-[3,5-bis-(trifluoromethyl)-phenyl]-ethoxy]-1,4-oxazin-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.126912451 u
Formula C21H19F6NO3
InChI InChI=1S/C21H19F6NO3/c1-13(15-9-16(20(22,23)24)11-17(10-15)21(25,26)27)31-19-18(29)28(7-8-30-19)12-14-5-3-2-4-6-14/h2-6,9-11,13,19H,7-8,12H2,1H3/t13-,19+/m1/s1
InChIKey KVPJNHLVRGUYGQ-YJYMSZOUSA-N
Molecular Weight 447.377 g/mol
SMILES C(F)(C=1C=C(C=C([C@@](C)(O[C@]2(C(=O)N(CCO2)CC2=CC=CC=C2)[H])[H])C1)C(F)(F)F)(F)F