pent-1-en-3-yne(646-05-9) 1H NMR
Product Namepent-1-en-3-yne
CAS646-05-9
Molecular FormulaC5H6
Molecular Weight66.1
InChIInChI=1S/C5H6/c1-3-5-4-2/h3H,1H2,2H3
InChIKey FILUFGAZMJGNEN-UHFFFAOYSA-N
SmilesC=CC#CC
parameter in CS2
-
1H NMR 300 MHz C5 H6 5 mol% in CS2 1-penten-3-yne 
Parameter ppm Hz
D(A) 5.245 D(B) 5.391 D(C) 5.623 D(D) 1.876 J(A,B) 2.33 J(A,C) 11.06 J(A,D) -0.57 J(B,C) 17.44 J(B,D) -0.73 J(C,D) 2.31 ERNST,L. ET AL. CAN.J.CHEN. 50, 1863 (1972)
Hz ppm Int.1705.79 5.686 25 1703.55 5.678 70 1701.32 5.671 70 1699.05 5.663 25 1694.94 5.650 30 1692.67 5.642 83 1690.43 5.635 84 1688.30 5.628 64 1686.11 5.620 113 1683.87 5.613 113 1681.60 5.605 41 1677.49 5.592 49 1675.22 5.584 137 1672.99 5.577 139 1670.75 5.569 50 1626.60 5.422 152 1625.93 5.420 157 1624.05 5.413 186 1623.45 5.411 180 1609.15 5.364 100 1608.48 5.362 104 1606.60 5.355 105 1606.00 5.353 103 1580.15 5.267 169 1579.69 5.266 171 1577.59 5.259 156 1577.20 5.257 154 1569.30 5.231 134 1568.80 5.229 137 1566.74 5.222 129 1566.28 5.221 127 563.93 1.880 997 561.70 1.872 1000