N-(2-CHLOROETHYL)BENZAMIDE(26385-07-9) MS
Product NameN-(2-CHLOROETHYL)BENZAMIDE
CAS26385-07-9
Molecular FormulaC9H10ClNO
Molecular Weight183.63
InChIInChI=1S/C9H10ClNO/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChIKey FYQJUYCGPLFWQR-UHFFFAOYSA-N
SmilesC(NCCCl)(=O)C1=CC=CC=C1
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MassMS-NW-8077 N-(2-chloroethyl)benzamide C9H10ClNO (Mass of molecular ion: 183)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
27.0 1.8 28.0 1.1 36.0 2.5 38.0 1.0 50.0 3.5 51.0 11.1 63.0 1.1 74.0 1.0 75.0 1.0 76.0 2.2 77.0 37.1 78.0 3.0 104.0 1.2 105.0 100.0 106.0 7.8 117.0 8.6 118.0 1.1 121.0 1.9 134.0 9.3 147.0 6.8 148.0 5.6 182.0 2.1 183.0 20.4 184.0 2.8 185.0 6.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H10 Cl N O 0.031 g : 0.5 ml CDCl3 N-(2-chloroethyl)benzamide 
Assign. Shift(ppm)
A 7.797 B 7.508 C 7.432 D 6.84 E 3.78 F 3.72
Hz ppm Int.3133.91 7.842 40 3133.54 7.841 40 3133.06 7.840 40 3119.87 7.807 890 3112.43 7.788 890 3101.44 7.761 34 3100.83 7.759 31 3009.28 7.530 216 3001.95 7.512 542 2994.75 7.494 424 2988.28 7.478 56 2987.67 7.476 55 2976.68 7.449 740 2969.12 7.430 1000 2961.91 7.412 413 2954.71 7.394 37 2732.18 6.837 189 1537.96 3.849 30 1536.74 3.846 31 1533.69 3.838 40 1532.84 3.836 43 1531.49 3.833 46 1515.75 3.793 617 1511.11 3.782 685 1499.76 3.753 149 1491.09 3.731 731 1486.45 3.720 907 1481.45 3.707 413 1472.78 3.686 38 1470.58 3.680 31 1470.09 3.679 30 1469.73 3.678 30
in CDCl3
KBr disc
nujol mull
