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N-(2-Methoxycarbonyl-1-methylvinyl)-N-trifluoroacetyl-2-aminophenylacetic acid
SpectraBase Compound ID HAV3ozwDf2s
InChI InChI=1S/C15H14F3NO5/c1-9(7-13(22)24-2)19(14(23)15(16,17)18)11-6-4-3-5-10(11)8-12(20)21/h3-7H,8H2,1-2H3,(H,20,21)/b9-7+
InChIKey LBUZKQTVWZMIKH-VQHVLOKHSA-N
Mol Weight 345.27 g/mol
Molecular Formula C15H14F3NO5
Exact Mass 345.082407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YDhjOwjtG9
Name N-(2-Methoxycarbonyl-1-methylvinyl)-N-trifluoroacetyl-2-aminophenylacetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14F3NO5
InChI InChI=1S/C15H14F3NO5/c1-9(7-13(22)24-2)19(14(23)15(16,17)18)11-6-4-3-5-10(11)8-12(20)21/h3-7H,8H2,1-2H3,(H,20,21)/b9-7+
InChIKey LBUZKQTVWZMIKH-VQHVLOKHSA-N
Molecular Weight 345.274 g/mol
SMILES OC(Cc1c(N(C(C(F)(F)F)=O)\C(=C\C(=O)OC)C)cccc1)=O
SPLASH splash10-002f-9352000000-d2a3d8e674ddc303bf88
Source of Spectrum CV-1975-727-5
Synonyms {2-[[(1E)-3-methoxy-1-methyl-3-oxo-1-propenyl](trifluoroacetyl)amino]phenyl}acetic acid
Wiley ID 1576153