1-Iodopropane(107-08-4) 13C NMR
Product Name1-Iodopropane
CAS107-08-4
Molecular FormulaC3H7I
Molecular Weight169.99
InChIInChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3
InChIKey PVWOIHVRPOBWPI-UHFFFAOYSA-N
SmilesC(I)CC
-
MassMS-NW-4943 1-iodopropane C3H7I (Mass of molecular ion: 170)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.7 26.0 1.7 27.0 31.7 28.0 1.7 38.0 1.5 39.0 10.7 40.0 2.0 41.0 36.8 42.0 3.3 43.0 100.0 44.0 3.3 127.0 4.9 128.0 1.2 170.0 23.3
parameter in benzene
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1H NMR 300 MHz C3 H7 I 90 vol% in benzene 1-iodopropane 
Parameter ppm Hz
D(A) 2.991 D(B) 1.659 D(C) 0.820 J(A,B) 6.80 J(A,C) -0.05 J(B,C) 7.25 SCHRUMPF,G. J.MAGN.RESON. 6, 243 (1972)
Hz ppm Int.904.16 3.014 340 897.38 2.991 698 890.58 2.969 364 515.48 1.718 42 508.34 1.694 163 501.33 1.671 320 494.21 1.647 323 487.22 1.624 176 480.15 1.600 46 253.15 0.844 510 245.90 0.820 1000 238.66 0.796 449
in CDCl3
liquid film
REACTION WITH NA AT 77K
