3,3,3-Trifluoro-2-[3-(4-trifluoromethoxy-phenyl)-ureido]-2-(3-trifluoromethyl-phenylamino)-propionic acid methyl ester

SpectraBase Compound ID	AJzazJM51tO
InChI	InChI=1S/C19H14F9N3O4/c1-34-14(32)16(18(23,24)25,30-12-4-2-3-10(9-12)17(20,21)22)31-15(33)29-11-5-7-13(8-6-11)35-19(26,27)28/h2-9,30H,1H3,(H2,29,31,33)
InChIKey	XAALKDJGTUUBOG-UHFFFAOYSA-N Google Search
Mol Weight	519.32 g/mol
Molecular Formula	C19H14F9N3O4
Exact Mass	519.084059 g/mol

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SpectraBase Spectrum ID	938DsDEcYov
Name	alanine, 3,3,3-trifluoro-N-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]-2-[[3-(trifluoromethyl)phenyl]amino]-,
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	519.084059406 u
Formula	C19H14F9N3O4
InChI	InChI=1S/C19H14F9N3O4/c1-34-14(32)16(18(23,24)25,30-12-4-2-3-10(9-12)17(20,21)22)31-15(33)29-11-5-7-13(8-6-11)35-19(26,27)28/h2-9,30H,1H3,(H2,29,31,33)
InChIKey	XAALKDJGTUUBOG-UHFFFAOYSA-N
Molecular Weight	519.324 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_18214
Solvent	DMSO-d6
Source	Vendor ID: NMR/11260298; Lab Info: AU; Lab Number: AU-01050008