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5-chloro-3-methylbenzo[b]thien-2-yl {{5-[(cyclopropylmethyl)thio]-1,3,4-thiadiazol-2-yl}thio}methyl ketone
SpectraBase Compound ID 7s9553pte7V
InChI InChI=1S/C17H15ClN2OS4/c1-9-12-6-11(18)4-5-14(12)24-15(9)13(21)8-23-17-20-19-16(25-17)22-7-10-2-3-10/h4-6,10H,2-3,7-8H2,1H3
InChIKey KACUDUPWUCIJOA-UHFFFAOYSA-N
Mol Weight 427.0 g/mol
Molecular Formula C17H15ClN2OS4
Exact Mass 425.975576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7jdQ2giuqsK
Name 5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL {{5-[(CYCLOPROPYLMETHYL)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 C17H15ClN2OS4
InChI InChI=1S/C17H15ClN2OS4/c1-9-12-6-11(18)4-5-14(12)24-15(9)13(21)8-23-17-20-19-16(25-17)22-7-10-2-3-10/h4-6,10H,2-3,7-8H2,1H3
InChIKey KACUDUPWUCIJOA-UHFFFAOYSA-N
Melting Point 120-122C
Molecular Weight 427.03
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms KETONE, 5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL {{5-[(CYCLOPROPYLMETHYL)THIO]-1,3,4-THIADIAZOL-2-YL}THIO}METHYL,