5-甲基-2-噻吩甲酸(1918-79-2)核磁图(1HNMR)
InChI:InChI=1S/C6H6O2S/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKey: VCNGNQLPFHVODE-UHFFFAOYSA-N
Smiles:C1(C(O)=O)SC(C)=CC=1
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Assign. Shift(ppm)
A 9.
B 7.704
C 6.800
D 2.545
J(B,C)=3.8HZ
J(B,D)=0.4HZ
J(C,D)=1.0HZ
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
167.95 761 1
149.92 796 2
135.57 1000 3
130.25 547 4
126.78 886 5
15.88 602 6
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc