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#40;4-(4-CHLOROPHENYL)-2-(2,2-DIMETHYL-4,4A,6,8A-TETRAHYDROPYRANO-[3,2-D]-[1,3]-DIOXIN-6-YL)-4-OXO-2-(TRIFLUOROMETHYL)-BUTYRIC-ACID-2,2-DIMETHYL-4,4A,8,8A-TETR

View entire compound with spectra: 2 NMR

#40;4-(4-CHLOROPHENYL)-2-(2,2-DIMETHYL-4,4A,6,8A-TETRAHYDROPYRANO-[3,2-D]-[1,3]-DIOXIN-6-YL)-4-OXO-2-(TRIFLUOROMETHYL)-BUTYRIC-ACID-2,2-DIMETHYL-4,4A,8,8A-TETR
SpectraBase Compound ID 4GlbDrBbGtV
InChI InChI=1S/C29H32ClF3O9/c1-26(2)37-14-21-19(41-26)9-10-23(39-21)28(29(31,32)33,13-18(34)16-5-7-17(30)8-6-16)25(35)40-20-11-12-36-22-15-38-27(3,4)42-24(20)22/h5-12,19-24H,13-15H2,1-4H3
InChIKey OGXGJBCYTLSGOS-UHFFFAOYSA-N
Mol Weight 617.0 g/mol
Molecular Formula C29H32ClF3O9
Exact Mass 616.168695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVoJxmmEX3z
Name #40;4-(4-CHLOROPHENYL)-2-(2,2-DIMETHYL-4,4A,6,8A-TETRAHYDROPYRANO-[3,2-D]-[1,3]-DIOXIN-6-YL)-4-OXO-2-(TRIFLUOROMETHYL)-BUTYRIC-ACID-2,2-DIMETHYL-4,4A,8,8A-TETR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H32ClF3O9
InChI InChI=1S/C29H32ClF3O9/c1-26(2)37-14-21-19(41-26)9-10-23(39-21)28(29(31,32)33,13-18(34)16-5-7-17(30)8-6-16)25(35)40-20-11-12-36-22-15-38-27(3,4)42-24(20)22/h5-12,19-24H,13-15H2,1-4H3
InChIKey OGXGJBCYTLSGOS-UHFFFAOYSA-N
Literature Reference Author K.BURGER,L.HENNIG,A.FUCHS,D.GREIF,J.SPENGLER,F.ALBERICIO
Literature Reference Citation MH.CHEM.,136,1763(2005)
Literature Reference DOI 10.1007/s00706-005-0366-z
Molecular Weight 617.016 g/mol
Solvent CDCl3
Source File Reference UWSI24216