1,2-PENTADIENE(591-95-7) IR1
Product Name1,2-PENTADIENE
CAS591-95-7
Molecular FormulaC5H8
Molecular Weight68.12
InChIInChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3
InChIKey LVMTVPFRTKXRPH-UHFFFAOYSA-N
SmilesC=C=CCC
parameter neat
-
1H NMR 300 MHz C5 H8 neat 1,2-pentadiene 
Parameter ppm Hz
D(A) 4.547 D(B) 5.034 D(C) 1.951 D(D) 0.993 J(A,B) -6.77 J(A,C) 3.50 J(A,D) 0.0 J(B,C) 6.23 J(B,D) 0.0 J(C,D) 7.51 KOSTER,D.F. & DANTI,A. J.PHYS.CHEM. 69, 486 (1965)
Hz ppm Int.1523.36 5.078 41 1517.05 5.057 116 1510.41 5.035 184 1503.72 5.012 137 1497.42 4.991 51 1370.91 4.570 184 1367.43 4.558 367 1364.03 4.547 330 1360.67 4.536 333 1357.15 4.524 168 603.31 2.011 20 599.83 1.999 39 595.82 1.986 74 593.49 1.978 51 592.27 1.974 125 589.48 1.965 93 588.64 1.962 111 586.04 1.953 132 584.78 1.949 138 582.30 1.941 109 581.30 1.938 96 578.55 1.928 131 577.40 1.925 59 575.00 1.917 77 571.06 1.904 45 567.59 1.892 23 305.33 1.018 509 297.84 0.993 1000 290.31 0.968 452
liquid film
