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2-[[1-Fluoro-2-(4-morpholinyl)ethyl]sulfonyl]benzothiazole
SpectraBase Compound ID Lvk5Ii7KZas
InChI InChI=1S/C13H15FN2O3S2/c14-12(9-16-5-7-19-8-6-16)21(17,18)13-15-10-3-1-2-4-11(10)20-13/h1-4,12H,5-9H2
InChIKey DJXOYIPGHSSLDS-UHFFFAOYSA-N
Mol Weight 330.39 g/mol
Molecular Formula C13H15FN2O3S2
Exact Mass 330.050813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBk6F1ZPuts
Name 2-[[1-Fluoro-2-(4-morpholinyl)ethyl]sulfonyl]benzothiazole
Appearance White solid
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Formula C13H15FN2O3S2
InChI InChI=1S/C13H15FN2O3S2/c14-12(9-16-5-7-19-8-6-16)21(17,18)13-15-10-3-1-2-4-11(10)20-13/h1-4,12H,5-9H2
InChIKey DJXOYIPGHSSLDS-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301793
Molecular Weight 330.392 g/mol
Quality 44
SMILES C1=CC2=C(C=C1)SC(=N2)S(C(CN1CCOCC1)F)(=O)=O
SPLASH splash10-001l-0965000000-107e749448bc9cd2f0a1
Source of Spectrum QE-29-SM8-2a (DOI: 10.1002/chem.202301793)
Wiley ID 1912043