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4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoro-benzoic acid tert-butyl ester
SpectraBase Compound ID 23WmPliaZ8A
InChI InChI=1S/C17H26FNO8S2/c1-17(2,3)27-16(20)13-6-7-15(14(18)12-13)19(8-10-25-28(4,21)22)9-11-26-29(5,23)24/h6-7,12H,8-11H2,1-5H3
InChIKey CCGOULDYJXQCOC-UHFFFAOYSA-N
Mol Weight 455.51 g/mol
Molecular Formula C17H26FNO8S2
Exact Mass 455.108387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6S7g4uIlmS1
Name 4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoro-benzoic acid tert-butyl ester
Alternate Name(s) tert-Butyl 4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoranyl-benzoate 4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluorobenzoic acid tert-butyl ester tert-Butyl 4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluorobenzoate
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Formula C17H26FNO8S2
InChI InChI=1S/C17H26FNO8S2/c1-17(2,3)27-16(20)13-6-7-15(14(18)12-13)19(8-10-25-28(4,21)22)9-11-26-29(5,23)24/h6-7,12H,8-11H2,1-5H3
InChIKey CCGOULDYJXQCOC-UHFFFAOYSA-N
Molecular Weight 455.512 g/mol
SMILES C(c1cc(c(cc1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)F)(=O)OC(C)(C)C
SPLASH splash10-0007-0096100000-d1e3bccea8c9c6f235b1
Source of Spectrum E1-37-2369-36
Wiley ID 1575145