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#8B;(+/-)-(3A-A,6-A,7-B,7A-B,7B-A)-7-(2-CHLORO-6-FLUOROPHENYL)-N,N-DIETHYLOCTAHYDRO-6-METHYL-1,3-DIOXO-2-PHENYLAZETO-[1,2-B]-PYRROLO-[3,4-D]-ISOXAZOL-6-CARBOXA

View entire compound with spectra: 1 NMR

#8B;(+/-)-(3A-A,6-A,7-B,7A-B,7B-A)-7-(2-CHLORO-6-FLUOROPHENYL)-N,N-DIETHYLOCTAHYDRO-6-METHYL-1,3-DIOXO-2-PHENYLAZETO-[1,2-B]-PYRROLO-[3,4-D]-ISOXAZOL-6-CARBOXA
SpectraBase Compound ID ESms9NlYBTE
InChI InChI=1S/C25H25ClFN3O4/c1-4-28(5-2)24(33)25(3)19(17-15(26)12-9-13-16(17)27)20-18-21(34-30(20)25)23(32)29(22(18)31)14-10-7-6-8-11-14/h6-13,18-21H,4-5H2,1-3H3/t18-,19+,20+,21+,25+/m0/s1
InChIKey FWNMDVWTALGNLL-JREFGXEFSA-N
Mol Weight 485.94 g/mol
Molecular Formula C25H25ClFN3O4
Exact Mass 485.151762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G53t9pxrq6x
Name #8B;(+/-)-(3A-A,6-A,7-B,7A-B,7B-A)-7-(2-CHLORO-6-FLUOROPHENYL)-N,N-DIETHYLOCTAHYDRO-6-METHYL-1,3-DIOXO-2-PHENYLAZETO-[1,2-B]-PYRROLO-[3,4-D]-ISOXAZOL-6-CARBOXA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25ClFN3O4
InChI InChI=1S/C25H25ClFN3O4/c1-4-28(5-2)24(33)25(3)19(17-15(26)12-9-13-16(17)27)20-18-21(34-30(20)25)23(32)29(22(18)31)14-10-7-6-8-11-14/h6-13,18-21H,4-5H2,1-3H3/t18-,19+,20+,21+,25+/m0/s1
InChIKey FWNMDVWTALGNLL-JREFGXEFSA-N
Literature Reference Author P.J.S.S.VAN-EIJK,W.VERBOOM,F.C.J.M.VAN-VEGGEL,D.N.REINHOUDT, S.HARKEMA
Literature Reference Citation REC.TR.CH.P.-B.,107,142(1988)
Literature Reference DOI 10.1002/recl.19881070308
Molecular Weight 485.943 g/mol
Solvent CDCl3
Source File Reference UNIW21158