2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-2-phenyl-acetic acid

SpectraBase Compound ID	HpqSSZJgQKF
InChI	InChI=1S/C19H20F3NO6S/c1-28-15-9-8-13(12-16(15)29-2)10-11-23(30(26,27)19(20,21)22)17(18(24)25)14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3,(H,24,25)
InChIKey	OKIMPTOWKGGPOU-UHFFFAOYSA-N Google Search
Mol Weight	447.43 g/mol
Molecular Formula	C19H20F3NO6S
Exact Mass	447.096343 g/mol

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SpectraBase Spectrum ID	F6dwF2OfW7e
Name	2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-2-phenyl-acetic acid
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H20F3NO6S
InChI	InChI=1S/C19H20F3NO6S/c1-28-15-9-8-13(12-16(15)29-2)10-11-23(30(26,27)19(20,21)22)17(18(24)25)14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3,(H,24,25)
InChIKey	OKIMPTOWKGGPOU-UHFFFAOYSA-N
Molecular Weight	447.425 g/mol
SMILES	OC(C(N(S(C(F)(F)F)(=O)=O)CCc1cc(OC)c(cc1)OC)c1ccccc1)=O
SPLASH	splash10-0udi-0900200000-d29a9ecec3838d89b02c
Source of Spectrum	H1-45-1125-1
Synonyms	2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-2-phenyl-ethanoic acid 2-[homoveratryl(triflyl)amino]-2-phenyl-acetic acid
Wiley ID	758302