3-CHLOROPROPIONAMIDE(5875-24-1) MS
Product Name3-CHLOROPROPIONAMIDE
CAS5875-24-1
Molecular FormulaC3H6ClNO
Molecular Weight107.54
InChIInChI=1S/C3H6ClNO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)
InChIKey JQDXZJYAUSVHDH-UHFFFAOYSA-N
SmilesC(N)(=O)CCCl
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MassMS-NW-7639 3-chloropropionamide C3H6ClNO (Mass of molecular ion: 107)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
16.0 2.4 17.0 1.8 18.0 1.9 25.0 1.0 26.0 9.5 27.0 32.0 28.0 39.6 29.0 2.2 30.0 1.9 35.0 1.0 36.0 5.7 38.0 1.8 41.0 1.1 42.0 1.8 43.0 4.8 44.0 100.0 45.0 7.2 49.0 2.9 51.0 1.5 52.0 2.8 53.0 3.3 54.0 2.1 55.0 10.8 61.0 1.4 62.0 1.6 63.0 14.8 64.0 2.6 65.0 4.8 71.0 15.3 72.0 72.3 73.0 3.0 91.0 4.7 93.0 1.4 107.0 6.6 109.0 2.4
parameter in D2O
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1H NMR 300 MHz C3 H6 Cl N O 0.044 g : 0.5 ml D2O 3-chloropropionamide 
Parameter ppm Hz
D(A) 3.818 D(B) 2.773 J(A,B) 6.4
Hz ppm Int.1151.87 3.840 480 1145.47 3.818 1000 1139.08 3.797 523 838.23 2.794 523 831.84 2.773 996 825.45 2.751 482
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
