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 Google Search
Mol Weight	303.24 g/mol
Molecular Formula	C13H12F3NO4
Exact Mass	303.071842 g/mol

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SpectraBase Spectrum ID	K2K8rb0xdJ4
Name	2-Butenoic acid, 4-hydroxy-4-[2-[(trifluoroacetyl)amino]phenyl]-, methyl ester
Alternate Name(s)	Methyl (2E)-4-hydroxy-4-{2-[(trifluoroacetyl)amino]phenyl}-2-butenoate Trifluoroacetamide of O-(3-methoxycarbonyl-1-hydroxyprop-2-en-1-yl)aniline
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
Wiley ID	1305413