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(6R,7aS)-1,1-bis[3,5-bis(trifluoromethyl)phenyl]-3-oxohexahydropyrrolo[1,2-c]oxazol-6-yl methanesulfonate

View entire compound with spectra: 1 MS (GC)

(6R,7aS)-1,1-bis[3,5-bis(trifluoromethyl)phenyl]-3-oxohexahydropyrrolo[1,2-c]oxazol-6-yl methanesulfonate
SpectraBase Compound ID 1bFhL2qMkRs
InChI InChI=1S/C23H15F12NO5S/c1-42(38,39)41-16-8-17-19(40-18(37)36(17)9-16,10-2-12(20(24,25)26)6-13(3-10)21(27,28)29)11-4-14(22(30,31)32)7-15(5-11)23(33,34)35/h2-7,16-17H,8-9H2,1H3/t16-,17+/m1/s1
InChIKey KNZUEEWGXZKUMH-SJORKVTESA-N
Mol Weight 645.42 g/mol
Molecular Formula C23H15F12NO5S
Exact Mass 645.047932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WLccxNsxy8
Name (6R,7aS)-1,1-bis[3,5-bis(trifluoromethyl)phenyl]-3-oxohexahydropyrrolo[1,2-c]oxazol-6-yl methanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H15F12NO5S
InChI InChI=1S/C23H15F12NO5S/c1-42(38,39)41-16-8-17-19(40-18(37)36(17)9-16,10-2-12(20(24,25)26)6-13(3-10)21(27,28)29)11-4-14(22(30,31)32)7-15(5-11)23(33,34)35/h2-7,16-17H,8-9H2,1H3/t16-,17+/m1/s1
InChIKey KNZUEEWGXZKUMH-SJORKVTESA-N
Molecular Weight 645.416 g/mol
SMILES C1N2C(OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3cc(cc(C(F)(F)F)c3)C(F)(F)F)[C@@]2(C[C@]1(OS(C)(=O)=O)[H])[H])=O
SPLASH splash10-0kdi-0000029000-8f6255814b26cfb8e3f9
Source of Spectrum CCC-5-2246-2246_1
Synonyms (6R,7aS)-1,1-bis(3,5-bis(trifluoromethyl)phenyl)-3-oxotetrahydro-1H,3H-pyrrolo[1,2-c]oxazol-6-yl methanesulfonate
Wiley ID 1787058