Product Name3-Chloropropyne
CAS624-65-7
Molecular FormulaC3H3Cl
Molecular Weight74.51
InChIInChI=1S/C3H3Cl/c1-2-3-4/h1H,3H2
InChIKey LJZPPWWHKPGCHS-UHFFFAOYSA-N
SmilesC#CCCl
Mass
MS-NW-4389 3-chloropropyne C3H3Cl (Mass of molecular ion: 74)
Source Temperature: 220 °C Sample Temperature: 170 °C Reservoir, 75 eV
25.0 1.4 26.0 1.2 35.0 2.3 36.0 6.5 37.0 16.9 38.0 22.7 39.0 100.0 40.0 3.6 47.0 2.7 49.0 1.4 72.0 1.2 73.0 4.4 74.0 31.9 75.0 4.1 76.0 10.2 77.0 1.0
90 MHz in CDCl3
parameter in TMS
1H NMR | 89.56 MHz |
C3 H3 Cl | 0.02 ml : 0.5 ml CDCl3 |
3-chloropropyne |
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Assign. Shift(ppm) |
Hz ppm Int.
370.69 4.140 968 368.06 4.110 1000 363.94 4.064 36 229.88 2.567 270 227.25 2.538 498 224.69 2.509 257
1H NMR | 300 MHz |
C3 H3 Cl | 2 vol% in TMS |
3-chloropropyne |
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Parameter ppm Hz |
Hz ppm Int.
1182.71 3.942 990 1180.12 3.934 1000 673.99 2.247 258 671.40 2.238 498 668.82 2.229 253
in CDCl3
CCl4 solution
liquid film
3-Chloropropyne(624-65-7) IR2 Atlas of Related Products
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