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3-[(Dipropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl trifluoromethanesulfonate
SpectraBase Compound ID 4HoWCQ2vezh
InChI InChI=1S/C16H22F3NO5S/c1-3-7-20(8-4-2)10-13-11-23-14-6-5-12(9-15(14)24-13)25-26(21,22)16(17,18)19/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3
InChIKey FLQCVHZPKMRBCI-UHFFFAOYSA-N
Mol Weight 397.41 g/mol
Molecular Formula C16H22F3NO5S
Exact Mass 397.117078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dgHYMkQW30
Name 3-[(Dipropylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl trifluoromethanesulfonate
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Formula C16H22F3NO5S
InChI InChI=1S/C16H22F3NO5S/c1-3-7-20(8-4-2)10-13-11-23-14-6-5-12(9-15(14)24-13)25-26(21,22)16(17,18)19/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3
InChIKey FLQCVHZPKMRBCI-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 397.409 g/mol
SMILES C(N(CCC)CCC)C1Oc2cc(OS(C(F)(F)F)(=O)=O)ccc2OC1
SPLASH splash10-03xr-0902000000-e838b0c2af33c7984cf7
Source of Spectrum US20110105462A1
Wiley ID 1844430