產(chǎn)品名稱:2-吡啶乙酸鹽酸鹽
CAS:16179-97-8
分子式:C7H8ClNO2
分子量: 173.6
InChI:InChI=1S/C7H7NO2.ClH/c9-7(10)5-6-3-1-2-4-8-6;/h1-4H,5H2,(H,9,10);1H
InChIKey: MQVISALTZUNQSK-UHFFFAOYSA-N
Smiles:C1(CC(=O)O)=NC=CC=C1.Cl
Mass
MS-NW-6783 2-pyridineacetic acid hydrochloride C7H7NO2 HCl (Mass of molecular ion: 137)
Source Temperature: 130 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.4 26.0 2.2 27.0 3.0 28.0 3.3 35.0 4.0 36.0 33.1 37.0 2.3 38.0 11.2 39.0 15.9 40.0 5.0 41.0 2.7 42.0 1.4 44.0 23.9 45.0 2.0 46.0 1.2 46.5 1.4 50.0 5.0 51.0 9.3 52.0 5.7 53.0 3.9 54.0 1.6 61.0 1.2 62.0 2.1 63.0 5.0 64.0 4.3 65.0 20.7 66.0 27.9 67.0 6.6 78.0 11.1 91.0 2.4 92.0 21.8 93.0 100.0 94.0 7.5 137.0 2.2
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C7 H7 N O2 | 0.040 g : 0.5 ml DMSO-d6 |
2-pyridineacetic acid hydrochloride |
Assign. Shift(ppm) |
Hz ppm Int.
3561.49 8.912 170 3560.57 8.910 182 3560.02 8.908 160 3556.36 8.899 167 3555.81 8.898 184 3554.90 8.896 183 3554.16 8.894 163 3438.58 8.604 113 3437.12 8.601 116 3430.71 8.585 223 3429.24 8.581 224 3422.83 8.565 139 3421.37 8.561 134 3226.11 8.073 223 3218.24 8.053 209 3201.38 8.011 131 3200.10 8.008 125 3195.52 7.996 130 3194.24 7.993 169 3193.87 7.992 168 3192.41 7.989 126 3187.83 7.977 128 3186.73 7.974 116 1723.41 4.313 1000
KBr disc
nujol mull
2-吡啶乙酸鹽酸鹽(16179-97-8)質(zhì)譜(MS)相關(guān)產(chǎn)品圖譜