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(R)-2-[4-(6-Acetylamino-2,3-difluorophenyl)butyl] methanesulfonate
SpectraBase Compound ID 7WQaVkj13wp
InChI InChI=1S/C13H17F2NO4S/c1-8(20-21(3,18)19)4-5-10-12(16-9(2)17)7-6-11(14)13(10)15/h6-8H,4-5H2,1-3H3,(H,16,17)/t8-/m1/s1
InChIKey AUTOFRHWCDBLGV-MRVPVSSYSA-N
Mol Weight 321.34 g/mol
Molecular Formula C13H17F2NO4S
Exact Mass 321.084636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QyEp9d09EC
Name (R)-2-[4-(6-Acetylamino-2,3-difluorophenyl)butyl] methanesulfonate
Alternate Name(s) Methanesulfonic acid [(2R)-4-(6-acetamido-2,3-difluorophenyl)butan-2-yl] ester [(2R)-4-(6-acetamido-2,3-difluorophenyl)butan-2-yl] methanesulfonate [(1R)-3-(6-acetamido-2,3-difluoro-phenyl)-1-methyl-propyl] methanesulfonate [(2R)-4-[6-acetamido-2,3-bis(fluoranyl)phenyl]butan-2-yl] methanesulfonate
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Formula C13H17F2NO4S
InChI InChI=1S/C13H17F2NO4S/c1-8(20-21(3,18)19)4-5-10-12(16-9(2)17)7-6-11(14)13(10)15/h6-8H,4-5H2,1-3H3,(H,16,17)/t8-/m1/s1
InChIKey AUTOFRHWCDBLGV-MRVPVSSYSA-N
Molecular Weight 321.339 g/mol
SMILES N(c1c(CC[C@](OS(=O)(=O)C)(C)[H])c(c(cc1)F)F)C(=O)C
SPLASH splash10-001l-0900000000-bb2d6c1d19e744eaaf3d
Source of Spectrum QC-6-250-11
Wiley ID 868751