产品名称:甲基苯巴比妥
CAS:115-38-8
分子式:C13H14N2O3
分子量: 246.26
InChI:InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)
InChIKey: ALARQZQTBTVLJV-UHFFFAOYSA-N
Smiles:C1(=O)N(C)C(=O)C(CC)(C2=CC=CC=C2)C(=O)N1
1HNMR
13CNMR
IR1
Raman
Assign. Shift(ppm) A 11.93 B 7.38 C 7.35 D 7.31 E 3.194 F *1 2.35 G *1 2.32 J 0.859 J(F,G)=-13.2Hz J(E,J)=J(F,J)=7.2Hz
ppm Int. Assign. 170.87 279 1 * 170.28 468 2 * 150.08 388 3 138.48 398 4 128.92 1000 5 128.12 378 6 126.11 955 7 60.33 433 8 29.10 209 9 27.64 179 10 9.60 299 11
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甲基苯巴比妥(115-38-8)核磁图(1HNMR)相关产品图谱