1-(2-Chloroethyl)piperidine hydrochloride(2008-75-5) IR2
Product Name1-(2-Chloroethyl)piperidine hydrochloride
CAS2008-75-5
Molecular FormulaC7H15Cl2N
Molecular Weight184.11
InChIInChI=1S/C7H14ClN.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1H
InChIKey VFLQQZCRHPIGJU-UHFFFAOYSA-N
SmilesN1(CCCl)CCCCC1.Cl
-
MassMS-NW-7039 N-(2-chloroethyl)piperidine hydrochloride C7H14ClN HCl (Mass of molecular ion: 147)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 2.2 18.0 2.1 26.0 1.0 27.0 9.4 28.0 6.7 29.0 3.4 30.0 3.5 35.0 2.6 36.0 16.1 38.0 5.2 39.0 3.7 41.0 12.6 42.0 19.6 43.0 2.1 44.0 6.5 53.0 1.2 54.0 2.3 55.0 12.5 56.0 3.9 57.0 1.4 63.0 2.9 65.0 1.0 69.0 4.1 70.0 4.8 83.0 1.0 84.0 1.1 96.0 1.7 98.0 100.0 99.0 6.9 118.0 1.7 146.0 2.6 147.0 4.8 148.0 1.2 149.0 1.6
400 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H14 Cl N 0.039 g : 0.5 ml CDCl3 N-(2-chloroethyl)piperidine hydrochloride 
Assign. Shift(ppm)
A 12.4 B 4.114 C 3.596 D 3.43 E 2.946 F 2.236 G 1.89 J 1.499
Hz ppm Int.4951.72 12.391 36 1651.25 4.132 516 1644.47 4.115 1000 1637.87 4.099 575 1443.54 3.613 157 1437.49 3.597 80 1431.45 3.582 176 1379.43 3.452 172 1374.30 3.439 222 1372.83 3.436 332 1367.70 3.423 335 1366.24 3.419 217 1360.93 3.406 165 1196.81 2.995 58 1194.25 2.989 63 1184.72 2.965 161 1181.97 2.958 129 1178.68 2.950 45 1175.20 2.941 130 1172.63 2.935 165 1163.11 2.911 68 1161.46 2.907 58 1160.36 2.904 63 915.28 2.291 46 911.44 2.281 36 903.74 2.262 105 902.64 2.259 110 900.26 2.253 112 898.80 2.249 100 894.95 2.240 45 891.47 2.231 108 889.82 2.227 112 887.62 2.221 126 882.86 2.210 47 880.85 2.205 35 880.30 2.203 36 878.83 2.199 47 877.55 2.196 40 875.17 2.190 58 872.06 2.183 35 871.69 2.182 35 760.51 1.903 246 758.86 1.899 241 749.15 1.875 228 747.14 1.870 227 612.69 1.534 30 606.28 1.518 51 605.00 1.514 60 603.35 1.510 65 600.24 1.502 65 594.01 1.487 59 590.90 1.479 60 589.25 1.475 52 587.96 1.472 46
in CDCl3
KBr disc
nujol mull
