CROTONYL CHLORIDE(10487-71-5) 13C NMR
Product NameCROTONYL CHLORIDE
CAS10487-71-5
Molecular FormulaC4H5ClO
Molecular Weight104.53
InChIInChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3
InChIKey RJUIDDKTATZJFE-UHFFFAOYSA-N
SmilesC(Cl)(=O)C=CC
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MassMS-NW-2640 crotonoyl chloride C4H5ClO (Mass of molecular ion: 104)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.3 26.0 3.5 27.0 3.0 28.0 1.7 35.0 1.0 36.0 2.5 37.0 5.0 38.0 8.0 39.0 53.6 40.0 7.7 41.0 57.8 42.0 2.4 53.0 1.0 63.0 1.7 68.0 2.5 69.0 100.0 70.0 4.4 76.0 1.9 77.0 1.4 105.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H5 Cl O 0.05 ml : 0.5 ml CDCl3 crotonoyl chloride 
Assign. Shift(ppm)
A 7.24 B 6.11 C 1.997
Hz ppm Int.667.31 7.451 62 660.31 7.373 193 653.38 7.296 206 652.25 7.283 89 646.50 7.219 70 645.25 7.205 257 638.31 7.128 261 631.44 7.051 88 555.81 6.207 98 554.19 6.188 285 552.56 6.170 284 550.94 6.152 93 540.75 6.038 63 539.06 6.019 206 537.44 6.001 215 535.81 5.983 71 183.13 2.045 982 181.50 2.027 990 179.69 2.007 48 176.19 1.968 957 174.56 1.950 1000 172.13 1.922 33
in CDCl3
liquid film
