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syn-tert-Butyl 3-[N-(4-Methoxyphenyl)amino]-2-tert-butylthio-4,4,4-trifluorobutanoate
SpectraBase Compound ID IkWsAcKsHhQ
InChI InChI=1S/C19H28F3NO3S/c1-17(2,3)26-16(24)14(27-18(4,5)6)15(19(20,21)22)23-12-8-10-13(25-7)11-9-12/h8-11,14-15,23H,1-7H3
InChIKey BINLONANRBCAOM-UHFFFAOYSA-N
Mol Weight 407.49 g/mol
Molecular Formula C19H28F3NO3S
Exact Mass 407.174199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EnxZPsoOpA
Name syn-tert-Butyl 3-[N-(4-Methoxyphenyl)amino]-2-tert-butylthio-4,4,4-trifluorobutanoate
Alternate Name(s) anti-tert-Butyl 3-[N-(4-Methoxyphenyl)amino]-2-tert-butylthio-4,4,4-trifluorobutanoate tert-Butyl 2-(tert-butylsulfanyl)-4,4,4-trifluoro-3-(4-methoxyanilino)butanoate
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Formula C19H28F3NO3S
InChI InChI=1S/C19H28F3NO3S/c1-17(2,3)26-16(24)14(27-18(4,5)6)15(19(20,21)22)23-12-8-10-13(25-7)11-9-12/h8-11,14-15,23H,1-7H3
InChIKey BINLONANRBCAOM-UHFFFAOYSA-N
Molecular Weight 407.492 g/mol
SMILES N(C(C(C(=O)OC(C)(C)C)SC(C)(C)C)C(F)(F)F)c1ccc(cc1)OC
SPLASH splash10-0udi-6190000000-9620597867b9438a319a
Source of Spectrum J-67-2694-11
Wiley ID 1569516