Butyryl chloride(141-75-3) 13C NMR
Product NameButyryl chloride
CAS141-75-3
Molecular FormulaC4H7ClO
Molecular Weight106.55
InChIInChI=1S/C4H7ClO/c1-2-3-4(5)6/h2-3H2,1H3
InChIKey DVECBJCOGJRVPX-UHFFFAOYSA-N
SmilesC(Cl)(=O)CCC
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MassMS-NW-2639 butyryl chloride C4H7ClO (Mass of molecular ion: 106)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 2.1 15.0 4.1 26.0 6.9 27.0 55.0 28.0 7.2 29.0 8.5 35.0 1.2 36.0 5.6 37.0 2.8 38.0 4.3 39.0 21.8 40.0 3.8 41.0 52.4 42.0 15.5 43.0 100.0 44.0 3.4 49.0 1.3 55.0 10.9 63.0 6.4 65.0 2.1 70.0 7.4 71.0 89.7 72.0 4.3 78.0 20.4 80.0 6.7 91.0 4.3 93.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H7 Cl O 0.05 ml : 0.5 ml CDCl3 butyryl chloride 
Assign. Shift(ppm)
A 2.87 B 1.74 C 1.00
Hz ppm Int.264.81 2.957 287 264.31 2.952 286 257.75 2.878 572 257.25 2.873 634 250.56 2.798 389 250.19 2.794 382 174.88 1.953 31 168.50 1.882 74 167.44 1.870 173 160.44 1.792 267 159.75 1.784 180 153.69 1.717 184 152.69 1.705 260 147.69 1.650 35 146.81 1.640 83 145.75 1.628 196 139.31 1.556 43 138.63 1.548 45 96.81 1.081 256 96.13 1.074 490 95.50 1.067 318 89.19 0.996 1000 88.50 0.989 557 82.25 0.919 172 81.44 0.910 313 80.50 0.899 170
in CDCl3
liquid film
