Benzoic acid, 4-[[3,3,3-trifluoro-1-oxo-2-(trifluoromethyl)propyl]amino]-, methyl ester

SpectraBase Compound ID	LXlsIYJAlJd
InChI	InChI=1S/C12H9F6NO3/c1-22-10(21)6-2-4-7(5-3-6)19-9(20)8(11(13,14)15)12(16,17)18/h2-5,8H,1H3,(H,19,20)
InChIKey	QPEMIYPKGHGGHE-UHFFFAOYSA-N Google Search
Mol Weight	329.2 g/mol
Molecular Formula	C12H9F6NO3
Exact Mass	329.048662 g/mol

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SpectraBase Spectrum ID	EAU3mo3cb0r
Name	methyl 4-{[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino}benzoate
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/C12H9F6NO3/c1-22-10(21)6-2-4-7(5-3-6)19-9(20)8(11(13,14)15)12(16,17)18/h2-5,8H,1H3,(H,19,20)
InChIKey	QPEMIYPKGHGGHE-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_5258
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: 62023; UBI_ID: UBI-005260
Temperature	308 °C