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Methyl 4-[(2,2-difluoro-3,3-dimethylcyclopropylidene)(tolyl-4-sulfonyl)methyl]benzoate

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Methyl 4-[(2,2-difluoro-3,3-dimethylcyclopropylidene)(tolyl-4-sulfonyl)methyl]benzoate
SpectraBase Compound ID 9mU78iJsOJl
InChI InChI=1S/C21H20F2O4S/c1-13-5-11-16(12-6-13)28(25,26)17(18-20(2,3)21(18,22)23)14-7-9-15(10-8-14)19(24)27-4/h5-12H,1-4H3/b18-17+
InChIKey MBLCLIWSJVYANG-ISLYRVAYSA-N
Mol Weight 406.44 g/mol
Molecular Formula C21H20F2O4S
Exact Mass 406.105037 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14po0ST6gT6
Name METHYL-4-[(2,2-DIFLUORO-3,3-DIMETHYLCYCLOPROPYLIDENE)-(TOLYL-4-SULFONYL)-METHYL]-BENZOATE
Compound Number 4AE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20F2O4S
InChI InChI=1S/C21H20F2O4S/c1-13-5-11-16(12-6-13)28(25,26)17(18-20(2,3)21(18,22)23)14-7-9-15(10-8-14)19(24)27-4/h5-12H,1-4H3/b18-17+
InChIKey MBLCLIWSJVYANG-ISLYRVAYSA-N
Literature Reference Author Z.L.CHENG,J.C.XIAO,C.LIU,Q.Y.CHEN
Literature Reference Citation EUR.J.ORG.CHEM.,5581(2006)
Solvent CDCl3
Source File Reference UWLU44186