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3-benzoyl-3-bromo-1,1,1-propanetricarboxylic acid, trimethyl ester
SpectraBase Compound ID FWI9DmGnNDm
InChI InChI=1S/C16H17BrO7/c1-22-13(19)16(14(20)23-2,15(21)24-3)9-11(17)12(18)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKey HVYIZLMKIDTPSH-UHFFFAOYSA-N
Mol Weight 401.21 g/mol
Molecular Formula C16H17BrO7
Exact Mass 400.015766 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ArjjUggJv1J
Name 3-BENZOYL-3-BROMO-1,1,1-PROPANETRICARBOXYLIC ACID, TRIMETHYL ESTER
Source of Sample I. Crossland, Technical University of Denmark Lyngby, Denmark
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17BrO7
InChI InChI=1S/C16H17BrO7/c1-22-13(19)16(14(20)23-2,15(21)24-3)9-11(17)12(18)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKey HVYIZLMKIDTPSH-UHFFFAOYSA-N
Melting Point 83-85C
Molecular Weight 401.22
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20