methyl 4-[3,5-bis(trifluoromethyl)anilino]-3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate

SpectraBase Compound ID	HgdclGglwhq
InChI	InChI=1S/C14H9ClF9NO4/c1-29-10(27)11(28,14(22,23)24)8(15)9(26)25-7-3-5(12(16,17)18)2-6(4-7)13(19,20)21/h2-4,8,28H,1H3,(H,25,26)
InChIKey	NGHHGEJAMKZNMY-UHFFFAOYSA-N Google Search
Mol Weight	461.67 g/mol
Molecular Formula	C14H9ClF9NO4
Exact Mass	461.007639 g/mol

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SpectraBase Spectrum ID	LUSVrSb6aBr
Name	methyl 4-[3,5-bis(trifluoromethyl)anilino]-3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C14H9ClF9NO4/c1-29-10(27)11(28,14(22,23)24)8(15)9(26)25-7-3-5(12(16,17)18)2-6(4-7)13(19,20)21/h2-4,8,28H,1H3,(H,25,26)
InChIKey	NGHHGEJAMKZNMY-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_12802
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: UZI/9313721; UBI_ID: UBI-012805
Temperature	308 °C