2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-3-methylbutanoic acid ethyl ester

SpectraBase Compound ID	8rSHyNfck0S
InChI	InChI=1S/C18H26F3NO6S/c1-6-28-17(23)16(12(2)3)22(29(24,25)18(19,20)21)10-9-13-7-8-14(26-4)15(11-13)27-5/h7-8,11-12,16H,6,9-10H2,1-5H3
InChIKey	JKIFMOONCASLEK-UHFFFAOYSA-N Google Search
Mol Weight	441.46 g/mol
Molecular Formula	C18H26F3NO6S
Exact Mass	441.143293 g/mol

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SpectraBase Spectrum ID	4t4djsDNDTc
Name	2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-3-methylbutanoic acid ethyl ester
Alternate Name(s)	2-[homoveratryl(triflyl)amino]-3-methyl-butyric acid ethyl ester ethyl 2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-3-methylbutanoate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H26F3NO6S
InChI	InChI=1S/C18H26F3NO6S/c1-6-28-17(23)16(12(2)3)22(29(24,25)18(19,20)21)10-9-13-7-8-14(26-4)15(11-13)27-5/h7-8,11-12,16H,6,9-10H2,1-5H3
InChIKey	JKIFMOONCASLEK-UHFFFAOYSA-N
Molecular Weight	441.462 g/mol
SMILES	C(N(S(C(F)(F)F)(=O)=O)CCc1cc(OC)c(cc1)OC)(C(=O)OCC)C(C)C
SPLASH	splash10-0udi-0900200000-18080cd40218092b4ebc
Source of Spectrum	H1-45-1125-5
Wiley ID	758312