4-Chlorobutyryl chloride(4635-59-0) 1H NMR
Product Name4-Chlorobutyryl chloride
CAS4635-59-0
Molecular FormulaC4H6Cl2O
Molecular Weight141
InChIInChI=1S/C4H6Cl2O/c5-3-1-2-4(6)7/h1-3H2
InChIKey CDIIZULDSLKBKV-UHFFFAOYSA-N
SmilesC(Cl)(=O)CCCCl
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MassMS-NW-2824 4-chlorobutyryl chloride C4H6Cl2O (Mass of molecular ion: 140)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.8 15.0 2.0 26.0 5.8 27.0 23.4 28.0 5.7 29.0 1.0 35.0 2.4 36.0 7.3 37.0 3.2 38.0 5.0 39.0 30.3 40.0 4.1 41.0 86.3 42.0 18.7 43.0 1.7 48.0 1.0 49.0 16.1 51.0 5.4 55.0 21.2 56.0 1.4 61.0 1.9 62.0 1.4 63.0 8.1 65.0 2.5 69.0 7.7 75.0 3.7 76.0 5.1 77.0 19.7 78.0 48.4 79.0 6.8 80.0 15.4 104.0 7.5 105.0 100.0 106.0 6.8 107.0 32.0 108.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H6 Cl2 O 0.05 ml : 0.5 ml CDCl3 4-chlorobutyryl chloride 
Assign. Shift(ppm)
A 3.605 B 3.12 C 2.17
Hz ppm Int.329.38 3.678 514 327.69 3.659 31 326.81 3.650 37 326.13 3.642 31 323.31 3.610 1000 319.19 3.564 52 317.00 3.540 649 287.31 3.209 344 286.75 3.202 318 280.25 3.130 724 276.81 3.091 34 273.25 3.052 506 272.81 3.047 463 206.94 2.311 124 206.13 2.302 127 200.31 2.237 325 199.25 2.225 242 197.69 2.208 40 196.94 2.199 42 194.06 2.167 323 193.56 2.162 415 192.75 2.153 317 190.63 2.129 38 189.88 2.121 33 187.44 2.093 277 186.69 2.085 190 185.88 2.076 174 180.56 2.017 81 179.75 2.008 78
in CDCl3
liquid film
