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2-{[(benzo[b]thien-3-yl)methyl]thio}benzothiazole
SpectraBase Compound ID 3lPvFpkOfsE
InChI InChI=1S/C16H11NS3/c1-3-7-14-12(5-1)11(9-18-14)10-19-16-17-13-6-2-4-8-15(13)20-16/h1-9H,10H2
InChIKey LMEJBGLHWQSLHR-UHFFFAOYSA-N
Mol Weight 313.45 g/mol
Molecular Formula C16H11NS3
Exact Mass 313.005363 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2VJZhyVW1fM
Name 2-{[(BENZO[b]THIEN-3-YL)METHYL]THIO}BENZOTHIAZOLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Some carbon atoms are unassigned; Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11NS3
InChI InChI=1S/C16H11NS3/c1-3-7-14-12(5-1)11(9-18-14)10-19-16-17-13-6-2-4-8-15(13)20-16/h1-9H,10H2
InChIKey LMEJBGLHWQSLHR-UHFFFAOYSA-N
Melting Point 79C
Molecular Weight 313.46
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOTHIAZOLE, 2-///BENZO/B/THIEN- 3-YL/METHYL/THIO/-,