2-CHLOROPHENETHYLALCOHOL(19819-95-5) MS
Product Name2-CHLOROPHENETHYLALCOHOL
CAS19819-95-5
Molecular FormulaC8H9ClO
Molecular Weight156.61
InChIInChI=1S/C8H9ClO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
InChIKey IWNHTCBFRSCBQK-UHFFFAOYSA-N
SmilesC1(CCO)=CC=CC=C1Cl
-
MassMS2014-05018CW o-chlorophenethyl alcohol C8H9ClO (Mass of molecular ion: 156)
Source Temperature: 250 °C Sample Temperature: 200 °C Reservoir, 70 eV
18.0 1.0 28.0 4.6 31.0 4.6 32.0 1.8 38.0 1.2 39.0 5.7 50.0 3.4 51.0 5.7 61.0 1.0 62.0 3.4 63.0 11.7 64.0 2.5 65.0 7.1 73.0 2.8 74.0 2.1 75.0 3.8 76.0 1.1 77.0 5.4 78.0 1.0 86.0 1.0 87.0 1.0 89.0 28.8 90.0 10.0 91.0 100.0 92.0 8.1 99.0 8.3 101.0 3.2 102.0 2.1 103.0 3.8 112.0 1.4 120.0 3.0 121.0 1.4 125.0 97.5 126.0 61.4 127.0 35.1 128.0 19.9 129.0 1.5 137.0 1.1 138.0 1.7 156.0 42.2 157.0 3.9 158.0 13.7 159.0 1.2 205.0 1.1
in CDCl3
400 MHz in CDCl3
90 MHz in CDCl3
-
-
1H NMR 399.65 MHz C8 H9 Cl O 0.05 ml : 0.5 ml CDCl3 o-chlorophenethyl alcohol 
Assign. Shift(ppm)
A 7.299 B 7.207 C 7.136 D 7.104 E 3.763 F 3.24 G 2.940 90MHZ : HSP-06-123
Hz ppm Int.2927.98 7.327 30 2926.39 7.323 37 2922.00 7.312 387 2920.41 7.308 345 2914.43 7.293 490 2912.72 7.289 467 2890.01 7.232 36 2885.74 7.221 271 2883.91 7.217 349 2878.42 7.203 379 2876.34 7.198 459 2870.36 7.183 33 2868.16 7.177 37 2867.07 7.174 37 2866.46 7.173 38 2865.36 7.170 39 2861.82 7.161 217 2860.23 7.157 255 2856.69 7.148 60 2854.49 7.143 495 2852.91 7.139 476 2849.12 7.130 65 2847.17 7.125 373 2845.34 7.120 590 2843.14 7.115 398 2837.77 7.101 383 2835.69 7.096 382 2831.79 7.086 44 2830.20 7.082 155 2828.25 7.077 137 1524.66 3.815 33 1522.46 3.810 30 1517.70 3.798 58 1511.11 3.782 485 1504.15 3.764 842 1497.19 3.747 484 1490.60 3.730 36 1296.39 3.244 162 1195.31 2.991 36 1188.48 2.974 59 1181.76 2.957 615 1174.80 2.940 1000 1167.85 2.923 543 1161.25 2.906 36
-
1H NMR 89.56 MHz C8 H9 Cl O 0.05 ml : 0.5 ml CDCl3 o-chlorophenethyl alcohol Assign. Shift(ppm)
A 7.37 to 7.06 B 3.774 C 2.97 D 2.958 400MHZ : HSP-42-170
Hz ppm Int.660.25 7.373 127 659.31 7.362 130 657.44 7.341 113 654.75 7.311 286 651.31 7.273 294 650.44 7.263 328 646.75 7.222 318 645.56 7.209 428 643.63 7.187 694 641.88 7.168 1000 639.19 7.138 391 636.63 7.109 247 635.13 7.092 221 632.25 7.060 176 628.75 7.021 50 345.50 3.858 227 338.69 3.782 506 331.88 3.706 331 282.25 3.152 32 281.56 3.144 33 270.69 3.023 505 263.94 2.948 784 257.06 2.871 329
in CDCl3
liquid film
4880 A,200 M,liquid
