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2-{[2-(2-Pyridinylsulfonyl)ethyl]sulfonyl}-1,3-benzothiazole

View entire compound with spectra: 2 NMR

2-{[2-(2-Pyridinylsulfonyl)ethyl]sulfonyl}-1,3-benzothiazole
SpectraBase Compound ID 1wp3eoe5NT2
InChI InChI=1S/C14H12N2O4S3/c17-22(18,13-7-3-4-8-15-13)9-10-23(19,20)14-16-11-5-1-2-6-12(11)21-14/h1-8H,9-10H2
InChIKey TUEVHWPDFRNZIX-UHFFFAOYSA-N
Mol Weight 368.44 g/mol
Molecular Formula C14H12N2O4S3
Exact Mass 367.99592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJEvroTWWGK
Name 2-{[2-(2-Pyridinylsulfonyl)ethyl]sulfonyl}-1,3-benzothiazole
Comments Computed using HOSE algorithm
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Exact Mass 367.995920392 u
Formula C14H12N2O4S3
InChI InChI=1S/C14H12N2O4S3/c17-22(18,13-7-3-4-8-15-13)9-10-23(19,20)14-16-11-5-1-2-6-12(11)21-14/h1-8H,9-10H2
InChIKey TUEVHWPDFRNZIX-UHFFFAOYSA-N
Molecular Weight 368.440 g/mol
SMILES C1(S(CCS(C2=NC=CC=C2)(=O)=O)(=O)=O)=NC=2C=CC=CC2S1