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(6S,7aS)-6-amino-1,1-bis[3,5-bis(trifluoromethyl)phenyl]tetrahydropyrrolo-[1,2-c]oxazol-3(1H)-one
SpectraBase Compound ID Djp1Ftl6yG3
InChI InChI=1S/C22H14F12N2O2/c23-19(24,25)11-1-9(2-12(5-11)20(26,27)28)18(16-7-15(35)8-36(16)17(37)38-18)10-3-13(21(29,30)31)6-14(4-10)22(32,33)34/h1-6,15-16H,7-8,35H2/t15-,16-/m0/s1
InChIKey USRULAIUOZJBTL-HOTGVXAUSA-N
Mol Weight 566.35 g/mol
Molecular Formula C22H14F12N2O2
Exact Mass 566.086366 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Slxemf1Jr3
Name (6S,7aS)-6-amino-1,1-bis[3,5-bis(trifluoromethyl)phenyl]tetrahydropyrrolo-[1,2-c]oxazol-3(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14F12N2O2
InChI InChI=1S/C22H14F12N2O2/c23-19(24,25)11-1-9(2-12(5-11)20(26,27)28)18(16-7-15(35)8-36(16)17(37)38-18)10-3-13(21(29,30)31)6-14(4-10)22(32,33)34/h1-6,15-16H,7-8,35H2/t15-,16-/m0/s1
InChIKey USRULAIUOZJBTL-HOTGVXAUSA-N
Molecular Weight 566.347 g/mol
SMILES N[C@]1(C[C@@]2(N(C1)C(=O)OC2(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[H])[H]
SPLASH splash10-014k-0000090000-847c69317f9699cbff32
Source of Spectrum CCC-5-2246-2246_3
Synonyms (6S,7aS)-6-amino-1,1-bis(3,5-bis(trifluoromethyl)phenyl)tetrahydro-1H,3H-pyrrolo[1,2-c]oxazol-3-one
Wiley ID 1787059