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2-(Anilinomethyl)-4-bromo-6-(hydroxymethyl)phenyltrifluoromethanesulfonate
SpectraBase Compound ID 3ehA3EaYk4N
InChI InChI=1S/C15H13BrF3NO4S/c16-12-6-10(8-20-13-4-2-1-3-5-13)14(11(7-12)9-21)24-25(22,23)15(17,18)19/h1-7,20-21H,8-9H2
InChIKey WHSIOLWOBCGFTI-UHFFFAOYSA-N
Mol Weight 440.23 g/mol
Molecular Formula C15H13BrF3NO4S
Exact Mass 438.970077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8HsOEWyTT6
Name 2-(Anilinomethyl)-4-bromo-6-(hydroxymethyl)phenyltrifluoromethanesulfonate
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Formula C15H13BrF3NO4S
InChI InChI=1S/C15H13BrF3NO4S/c16-12-6-10(8-20-13-4-2-1-3-5-13)14(11(7-12)9-21)24-25(22,23)15(17,18)19/h1-7,20-21H,8-9H2
InChIKey WHSIOLWOBCGFTI-UHFFFAOYSA-N
Molecular Weight 440.231 g/mol
SMILES OCc1c(c(CNc2ccccc2)cc(c1)Br)OS(C(F)(F)F)(=O)=O
SPLASH splash10-000f-0030900000-735c2215ae4e1c55dfd8
Source of Spectrum F-56-412-15
Wiley ID 855530