METHYL 5-FORMYL-2-THIOPHENECARBOXYLATE(67808-64-4) IR1
Molecular FormulaC7H6O3S
Molecular Weight170.19
InChIInChI=1S/C7H6O3S/c1-10-7(9)6-3-2-5(4-8)11-6/h2-4H,1H3
InChIKey APNKWEPRZUSZCJ-UHFFFAOYSA-N
SmilesC1(C(OC)=O)SC(C=O)=CC=1
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Parameter ppm Hz
D(A) 7.98
D(B) 7.86
J(A,B) 3.90
D(C) 3.91
D(D) 10.04
GRONOWITZ,S. ET AL. ARK.KEMI. 21, 265 (1963)
Spectral Code: 1H NMR : parameter in acetone
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Spectral Code: IR : KBr disc