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3-[(Butylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl trifluoromethanesulfonate
SpectraBase Compound ID FW2pzzTajBf
InChI InChI=1S/C14H18F3NO5S/c1-2-3-6-18-8-11-9-21-12-5-4-10(7-13(12)22-11)23-24(19,20)14(15,16)17/h4-5,7,11,18H,2-3,6,8-9H2,1H3
InChIKey VENGEZHCJUQOSJ-UHFFFAOYSA-N
Mol Weight 369.36 g/mol
Molecular Formula C14H18F3NO5S
Exact Mass 369.085778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxT9q8DezhP
Name 3-[(Butylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18F3NO5S
InChI InChI=1S/C14H18F3NO5S/c1-2-3-6-18-8-11-9-21-12-5-4-10(7-13(12)22-11)23-24(19,20)14(15,16)17/h4-5,7,11,18H,2-3,6,8-9H2,1H3
InChIKey VENGEZHCJUQOSJ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 369.355 g/mol
SMILES N(CC1Oc2cc(OS(C(F)(F)F)(=O)=O)ccc2OC1)CCCC
SPLASH splash10-000i-9000000000-14c583af0a3b78794eeb
Source of Spectrum US20110105462A1
Wiley ID 1844428