产品名称:巴比妥
CAS:57-44-3
分子式:C8H12N2O3
分子量: 184.19
InChI:InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKey: FTOAOBMCPZCFFF-UHFFFAOYSA-N
Smiles:C1(=O)NC(=O)C(CC)(CC)C(=O)N1
MS
1HNMR
13CNMR
IR1
IR2
Raman
Mass
MS-NW-0181 5,5-diethylbarbituric acid C8H12N2O3 (Mass of molecular ion: 184)
Source Temperature: 180 °C Sample Temperature: 0 °C Direct, 75 eV
15.0 1.2 26.0 2.6 27.0 12.6 28.0 2.9 29.0 12.8 38.0 1.7 39.0 14.8 40.0 3.0 41.0 19.5 42.0 3.1 43.0 2.0 44.0 6.5 51.0 1.2 52.0 1.5 53.0 4.3 54.0 3.1 55.0 17.5 56.0 2.6 66.0 1.0 67.0 1.9 68.0 1.3 69.0 6.5 70.0 3.6 80.0 1.6 83.0 11.7 84.0 1.8 85.0 4.0 94.0 3.2 95.0 1.1 97.0 1.0 98.0 14.1 112.0 17.2 113.0 2.2 126.0 1.6 141.0 76.4 142.0 4.9 155.0 19.4 156.0 100.0 157.0 7.5
400 MHz in DMSO-d6
90 MHz in DMSO-d6
Assign. Shift(ppm) A 11.6 B 1.821 C 0.748
Hz ppm Int.
4616.89 11.553 249 739.26 1.850 123 731.93 1.832 392 724.42 1.813 400 717.10 1.795 129 306.25 0.767 478 298.93 0.748 1000 291.42 0.730 420
Assign. Shift(ppm) A 11.49 B 1.815 C 0.754
1029.41 11.495 181 174.91 1.953 84 172.35 1.925 30 171.50 1.915 27 170.98 1.910 28 167.14 1.867 332 159.70 1.784 385 152.70 1.706 138 74.34 0.831 439 70.58 0.789 51 67.08 0.749 1000 62.63 0.700 52 59.56 0.666 302
DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
更多供应商
巴比妥(57-44-3)Raman光谱相关产品图谱