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Product NameCIS-1-CHLOROPROPENE
CAS16136-84-8
Molecular FormulaC3H5Cl
Molecular Weight76.52
InChIInChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2-
InChIKey OWXJKYNZGFSVRC-IHWYPQMZSA-N
SmilesC(/Cl)=C/C
1HNMR
13CNMR
IR1
parameter in acetone
parameter in benzene
Parameter ppm Hz D(A) 6.14 D(B) 5.90 D(C) 1.72 J(A,B) 7.0 J(A,C) -1.8 J(B,C) 6.8 HRUSKA,F. ET AL. CAN.J.CHEM. 45, 1081 (1967)
Hz ppm Int.
1848.36 6.161 85 1846.54 6.155 229 1844.81 6.149 229 1843.04 6.143 91 1841.35 6.138 107 1839.57 6.132 277 1837.84 6.126 279 1836.06 6.120 104 1783.54 5.945 88 1776.73 5.922 315 1769.92 5.900 431 1763.03 5.877 285 1756.23 5.854 75 520.29 1.734 998 518.52 1.728 1000 513.52 1.712 991 511.75 1.706 986
Parameter ppm Hz D(A) 5.71 D(B) 5.35 D(C) 1.50 J(A,B) 7.0 J(A,C) -1.8 J(B,C) 6.8 HRUSKA,F. ET AL. CAN.J.CHEM. 45, 1081 (1967)
1719.30 5.731 87 1717.53 5.725 237 1715.76 5.719 238 1713.98 5.713 95 1712.29 5.708 105 1710.51 5.702 270 1708.78 5.696 270 1706.96 5.690 100 1618.60 5.395 85 1611.78 5.373 307 1604.96 5.350 440 1598.06 5.327 292 1591.28 5.304 77 454.31 1.514 999 452.50 1.508 1000 447.49 1.492 993 445.72 1.486 986
in CDCl3
KBr disc
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