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3-[(Butylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl Methanesulfonate
SpectraBase Compound ID GFVhXr8A1C8
InChI InChI=1S/C14H21NO5S/c1-3-4-7-15-9-12-10-18-13-6-5-11(8-14(13)19-12)20-21(2,16)17/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3
InChIKey QVIAAUWLFRJLQS-UHFFFAOYSA-N
Mol Weight 315.38 g/mol
Molecular Formula C14H21NO5S
Exact Mass 315.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jss3rJIm9Ss
Name 3-[(Butylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl Methanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO5S
InChI InChI=1S/C14H21NO5S/c1-3-4-7-15-9-12-10-18-13-6-5-11(8-14(13)19-12)20-21(2,16)17/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3
InChIKey QVIAAUWLFRJLQS-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 315.384 g/mol
SMILES N(CCCC)CC1Oc2cc(OS(C)(=O)=O)ccc2OC1
SPLASH splash10-000i-9001000000-d0a2345fe4e65d22784d
Source of Spectrum US20110105462A1
Wiley ID 1844410