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2-[(1-Fluoro-2-piperidin-1-ylethyl)sulfonyl]-1,3-benzothiazole
SpectraBase Compound ID F680NeloPjG
InChI InChI=1S/C14H17FN2O2S2/c15-13(10-17-8-4-1-5-9-17)21(18,19)14-16-11-6-2-3-7-12(11)20-14/h2-3,6-7,13H,1,4-5,8-10H2
InChIKey MYMSBEKYMGAKFA-UHFFFAOYSA-N
Mol Weight 328.42 g/mol
Molecular Formula C14H17FN2O2S2
Exact Mass 328.071548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jFY5fdLtN8
Name 2-[(1-Fluoro-2-piperidin-1-ylethyl)sulfonyl]-1,3-benzothiazole
Appearance White solid
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Exact Mass 328.071548304 u
Formula C14H17FN2O2S2
InChI InChI=1S/C14H17FN2O2S2/c15-13(10-17-8-4-1-5-9-17)21(18,19)14-16-11-6-2-3-7-12(11)20-14/h2-3,6-7,13H,1,4-5,8-10H2
InChIKey MYMSBEKYMGAKFA-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301793
Molecular Weight 328.420 g/mol
Quality 44
SMILES C1=CC2=C(C=C1)SC(=N2)S(C(CN1CCCCC1)F)(=O)=O
SPLASH splash10-004i-1349000000-59a14b164a9ea97f113f
Source of Spectrum QE-29-SM9-2c (DOI: 10.1002/chem.202301793)
Wiley ID 1912045