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3-[(Allylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl trifluoromethanesulfonate
SpectraBase Compound ID U1XPryy4ht
InChI InChI=1S/C13H14F3NO5S/c1-2-5-17-7-10-8-20-11-4-3-9(6-12(11)21-10)22-23(18,19)13(14,15)16/h2-4,6,10,17H,1,5,7-8H2
InChIKey QERZHFSAYSFMSV-UHFFFAOYSA-N
Mol Weight 353.31 g/mol
Molecular Formula C13H14F3NO5S
Exact Mass 353.054478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K16g09eiQ0U
Name 3-[(Allylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14F3NO5S
InChI InChI=1S/C13H14F3NO5S/c1-2-5-17-7-10-8-20-11-4-3-9(6-12(11)21-10)22-23(18,19)13(14,15)16/h2-4,6,10,17H,1,5,7-8H2
InChIKey QERZHFSAYSFMSV-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 353.312 g/mol
SMILES N(CC1Oc2cc(OS(C(F)(F)F)(=O)=O)ccc2OC1)CC=C
SPLASH splash10-00di-9000000000-4be674a39f2a9bcc370a
Source of Spectrum US20110105462A1
Wiley ID 1844438