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2-Butenoic acid, 4-hydroxy-4-[2-[(trifluoroacetyl)amino]phenyl]-, methyl ester
SpectraBase Compound ID 99EfdQbJuo4
InChI InChI=1S/C13H12F3NO4/c1-21-11(19)7-6-10(18)8-4-2-3-5-9(8)17-12(20)13(14,15)16/h2-7,10,18H,1H3,(H,17,20)/b7-6+
InChIKey PKVAFIMIOJDMSB-VOTSOKGWSA-N
Mol Weight 303.24 g/mol
Molecular Formula C13H12F3NO4
Exact Mass 303.071842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2K8rb0xdJ4
Name 2-Butenoic acid, 4-hydroxy-4-[2-[(trifluoroacetyl)amino]phenyl]-, methyl ester
CAS Registry Number 78839-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F3NO4
InChI InChI=1S/C13H12F3NO4/c1-21-11(19)7-6-10(18)8-4-2-3-5-9(8)17-12(20)13(14,15)16/h2-7,10,18H,1H3,(H,17,20)/b7-6+
InChIKey PKVAFIMIOJDMSB-VOTSOKGWSA-N
Molecular Weight 303.237 g/mol
SMILES N(C(C(F)(F)F)=O)c1c(C(\C=C\C(=O)OC)O)cccc1
SPLASH splash10-00b9-4690000000-1a437f70cfa4adbbfb28
Source of Spectrum F-39-3774-0
Synonyms Methyl (2E)-4-hydroxy-4-{2-[(trifluoroacetyl)amino]phenyl}-2-butenoate Trifluoroacetamide of O-(3-methoxycarbonyl-1-hydroxyprop-2-en-1-yl)aniline
Wiley ID 1305413