syn-tert-Butyl 3-[N-(4-Chlorophenyl)amino]-2-tert-butylthio-4,4,4-trifluorobutanoate

SpectraBase Compound ID	2JwYvLniLFK
InChI	InChI=1S/C18H25ClF3NO2S/c1-16(2,3)25-15(24)13(26-17(4,5)6)14(18(20,21)22)23-12-9-7-11(19)8-10-12/h7-10,13-14,23H,1-6H3
InChIKey	OJTRUQUHMBUBFX-UHFFFAOYSA-N Google Search
Mol Weight	411.91 g/mol
Molecular Formula	C18H25ClF3NO2S
Exact Mass	411.124662 g/mol

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SpectraBase Spectrum ID	6vpgwN18P4V
Name	syn-tert-Butyl 3-[N-(4-Chlorophenyl)amino]-2-tert-butylthio-4,4,4-trifluorobutanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H25ClF3NO2S
InChI	InChI=1S/C18H25ClF3NO2S/c1-16(2,3)25-15(24)13(26-17(4,5)6)14(18(20,21)22)23-12-9-7-11(19)8-10-12/h7-10,13-14,23H,1-6H3
InChIKey	OJTRUQUHMBUBFX-UHFFFAOYSA-N
Molecular Weight	411.911 g/mol
SMILES	N(C(C(C(=O)OC(C)(C)C)SC(C)(C)C)C(F)(F)F)c1ccc(cc1)Cl
SPLASH	splash10-0a4l-9320000000-94fb98d3fea672376cc8
Source of Spectrum	J-67-2694-11
Synonyms	anti-tert-Butyl 3-[N-(4-Chlorophenyl)amino]-2-tert-butylthio-4,4,4-trifluorobutanoate tert-Butyl 2-(tert-butylsulfanyl)-3-(4-chloroanilino)-4,4,4-trifluorobutanoate
Wiley ID	1569517