1-Bromopropane(106-94-5) IR1
Product Name1-Bromopropane
CAS106-94-5
Molecular FormulaC3H7Br
Molecular Weight122.99
InChIInChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
InChIKey CYNYIHKIEHGYOZ-UHFFFAOYSA-N
SmilesC(Br)CC
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MassMS-NW-5066 1-bromopropane C3H7Br (Mass of molecular ion: 122)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.6 26.0 2.4 27.0 25.6 28.0 1.6 29.0 4.0 37.0 1.2 38.0 2.2 39.0 9.0 40.0 2.1 41.0 31.0 42.0 7.7 43.0 100.0 44.0 3.5 93.0 1.1 95.0 1.0 107.0 1.5 109.0 1.2 122.0 8.6 124.0 8.3
90 MHz in CDCl3
parameter in benzene
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1H NMR 89.56 MHz C3 H7 Br 0.02 ml : 0.5 ml CDCl3 1-bromopropane 
Assign. Shift(ppm)
A 3.386 B 1.870 C 1.031
Hz ppm Int.310.38 3.466 353 303.56 3.390 769 297.06 3.317 454 179.63 2.006 75 178.94 1.998 159 172.25 1.924 225 166.06 1.855 161 165.19 1.845 280 158.38 1.769 194 98.88 1.105 485 92.00 1.028 1000 91.44 1.021 608 84.50 0.944 323 83.75 0.936 173
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1H NMR 300 MHz C3 H7 Br 90 vol% in benzene 1-bromopropane Parameter ppm Hz
D(A) 3.177 D(B) 1.683 D(C) 0.848 J(A,B) 6.67 J(A,C) -0.05 J(B,C) 7.29 SCHRUMPF,G. J.MAGN.RESON. 6, 243 (1972)
Hz ppm Int.959.82 3.199 342 953.16 3.177 700 946.50 3.155 364 522.60 1.742 40 515.36 1.718 146 508.57 1.695 288 501.38 1.671 293 494.56 1.649 156 487.44 1.625 45 261.59 0.872 504 254.31 0.848 1000 247.03 0.823 444
in CDCl3
liquid film
4880 A,200 M,liquid
