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benzoic acid [1-methyl-1-[4-[(2,2,2-trichloroacetimidoyl)oxymethyl]phenyl]ethyl] ester

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benzoic acid [1-methyl-1-[4-[(2,2,2-trichloroacetimidoyl)oxymethyl]phenyl]ethyl] ester
SpectraBase Compound ID KYPvHvzbl2o
InChI InChI=1S/C19H18Cl3NO3/c1-18(2,26-16(24)14-6-4-3-5-7-14)15-10-8-13(9-11-15)12-25-17(23)19(20,21)22/h3-11,23H,12H2,1-2H3
InChIKey NDPDEMNDPHPOAE-UHFFFAOYSA-N
Mol Weight 414.72 g/mol
Molecular Formula C19H18Cl3NO3
Exact Mass 413.035227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLplPaiCMjw
Name benzoic acid [1-methyl-1-[4-[(2,2,2-trichloroacetimidoyl)oxymethyl]phenyl]ethyl] ester
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18Cl3NO3
InChI InChI=1S/C19H18Cl3NO3/c1-18(2,26-16(24)14-6-4-3-5-7-14)15-10-8-13(9-11-15)12-25-17(23)19(20,21)22/h3-11,23H,12H2,1-2H3
InChIKey NDPDEMNDPHPOAE-UHFFFAOYSA-N
Literature Reference Author T.NUKADA,A.BERCES,D.M.WHITFIELD
Literature Reference Citation J.ORG.CHEM.,64,9030(1999)
Literature Reference DOI 10.1021/jo990712b
Molecular Weight 414.716 g/mol
Sample ID 59920
Solvent CDCl3