5-苯亚甲基巴比土酸(27402-47-7)核磁图(13CNMR)
分子式:C11H8N2O3
分子量: 216.19
InChI:InChI=1S/C11H8N2O3/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,15,16)
InChIKey: CMWDWOZYVQQAMI-UHFFFAOYSA-N
Smiles:C1(=O)NC(=O)/C(=C\C2=CC=CC=C2)/C(=O)N1
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Assign. Shift(ppm)
A *1 11.4
B *1 11.3
C 8.305
D 8.094
E 7.542
F 7.481
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
163.63 415 1
161.74 408 2
155.22 360 3
150.44 468 4
133.28 971 5
132.75 427 6
132.49 339 7
128.26 1000 8
119.08 422 9
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : nujol mull