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5-chloro-3-methylbenzo[b]thien-2-yl {{5-[(2-propynyl)thio]-1,3,4-thiadiazol-2-yl}thio}methyl ketone
SpectraBase Compound ID 5wumoN7Ylok
InChI InChI=1S/C16H11ClN2OS4/c1-3-6-21-15-18-19-16(24-15)22-8-12(20)14-9(2)11-7-10(17)4-5-13(11)23-14/h1,4-5,7H,6,8H2,2H3
InChIKey BLJTYKVZBNSZGF-UHFFFAOYSA-N
Mol Weight 411.0 g/mol
Molecular Formula C16H11ClN2OS4
Exact Mass 409.944275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6cAcQakeUa
Name 5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL {{5-[(2-PROPYNYL)THIO]-1,3,4-THIADIAZOL-2-YL}THIO}METHYL KETONE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11ClN2OS4
InChI InChI=1S/C16H11ClN2OS4/c1-3-6-21-15-18-19-16(24-15)22-8-12(20)14-9(2)11-7-10(17)4-5-13(11)23-14/h1,4-5,7H,6,8H2,2H3
InChIKey BLJTYKVZBNSZGF-UHFFFAOYSA-N
Melting Point 134-136C
Molecular Weight 410.99
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms KETONE, 5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL {{5-[(2-PROPYNYL)THIO]-1,3,4-THIADIAZOL-2-YL}THIO}METHYL,