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3-{[(2-Hydroxyethyl)amino]methyl}-2,3-dihydro-1,4-benzodioxin-6-yl trifluoromethanesulfonate
SpectraBase Compound ID DcnbVffm1Ph
InChI InChI=1S/C12H14F3NO6S/c13-12(14,15)23(18,19)22-8-1-2-10-11(5-8)21-9(7-20-10)6-16-3-4-17/h1-2,5,9,16-17H,3-4,6-7H2
InChIKey LLIBCCNEIYBBGF-UHFFFAOYSA-N
Mol Weight 357.3 g/mol
Molecular Formula C12H14F3NO6S
Exact Mass 357.049393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ho3oQIpl1mS
Name 3-{[(2-Hydroxyethyl)amino]methyl}-2,3-dihydro-1,4-benzodioxin-6-yl trifluoromethanesulfonate
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Formula C12H14F3NO6S
InChI InChI=1S/C12H14F3NO6S/c13-12(14,15)23(18,19)22-8-1-2-10-11(5-8)21-9(7-20-10)6-16-3-4-17/h1-2,5,9,16-17H,3-4,6-7H2
InChIKey LLIBCCNEIYBBGF-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 357.300 g/mol
SMILES N(CC1Oc2cc(OS(C(F)(F)F)(=O)=O)ccc2OC1)CCO
SPLASH splash10-00di-9002000000-2001dbe5503d309540b3
Source of Spectrum US20110105462A1
Wiley ID 1844429