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METHYL THIOPHENE-2-CARBOXYLATE(5380-42-7) IR1
Product NameMETHYL THIOPHENE-2-CARBOXYLATE
CAS5380-42-7
Molecular FormulaC6H6O2S
Molecular Weight142.18
InChIInChI=1S/C6H6O2S/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
InChIKey PGBFYLVIMDQYMS-UHFFFAOYSA-N
SmilesC1(C(OC)=O)SC=CC=1
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Assign. Shift(ppm)
A 7.789 B 7.534 C 7.078 D 3.868Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
162.68 125 1 133.63 130 2 133.45 835 3 132.32 1000 4 127.73 940 5 52.12 700 6 K.TAKAHASHI ET AL. BULL.CHEM.SOC.JPN., <58>, 1587 (1985)Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
