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2-(2-Benzothiazolylsulfonyl)-N,N-diethyl-2-fluoroethanamine
SpectraBase Compound ID 3OCY84qfSaG
InChI InChI=1S/C13H17FN2O2S2/c1-3-16(4-2)9-12(14)20(17,18)13-15-10-7-5-6-8-11(10)19-13/h5-8,12H,3-4,9H2,1-2H3
InChIKey XGHDXLLPWJLLAI-UHFFFAOYSA-N
Mol Weight 316.41 g/mol
Molecular Formula C13H17FN2O2S2
Exact Mass 316.071548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jyu7Qo2y6Ym
Name 2-(2-Benzothiazolylsulfonyl)-N,N-diethyl-2-fluoroethanamine
Appearance Yellow oil
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Exact Mass 316.071548304 u
Formula C13H17FN2O2S2
InChI InChI=1S/C13H17FN2O2S2/c1-3-16(4-2)9-12(14)20(17,18)13-15-10-7-5-6-8-11(10)19-13/h5-8,12H,3-4,9H2,1-2H3
InChIKey XGHDXLLPWJLLAI-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301793
Molecular Weight 316.409 g/mol
Quality 51
SMILES C1=CC2=C(C=C1)SC(=N2)S(C(CN(CC)CC)F)(=O)=O
SPLASH splash10-014i-3679000000-6e1574362fe782927db5
Source of Spectrum QE-29-SM9-2d (DOI: 10.1002/chem.202301793)
Wiley ID 1912046