540-54-5

1-Chloropropane(540-54-5) ¹³C NMR

Product Name1-Chloropropane

CAS 540-54-5

Molecular FormulaC3H7Cl

Molecular Weight78.54

InChIInChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3

InChIKey SNMVRZFUUCLYTO-UHFFFAOYSA-N

SmilesC(Cl)CC

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1-Chloropropane(540-54-5) <sup>13</sup>C NMR
Mass

MS-NW-0944          
1-chloropropane
C3H7Cl              (Mass of molecular ion:     78)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.3
      18.0       1.3
      26.0       3.9
      27.0      31.9
      28.0      12.9
      29.0      40.6
      36.0       1.2
      37.0       2.3
      38.0       3.1
      39.0      11.4
      40.0       3.1
      41.0      23.2
      42.0     100.0
      43.0      13.7
      49.0       4.2
      51.0       1.3
      63.0       4.7
      65.0       1.4
      78.0       2.7

parameter in benzene

1-Chloropropane(540-54-5) <sup>13</sup>C NMR

¹H NMR	300 MHz
C₃ H₇ Cl	90 vol% in benzene
1-chloropropane

    Parameter     ppm  Hz

      D(A)         3.302
      D(B)         1.613
      D(C)         0.855
       J(A,B)          6.60
       J(A,C)         -0.06
       J(B,C)          7.35
     
     SCHRUMPF,G. J.MAGN.RESON. 6, 243 (1972)

     Hz     ppm     Int.

    997.25   3.324    353
    990.66   3.302    721
    984.06   3.280    371
    501.66   1.672     40
    494.30   1.648    138
    487.61   1.625    274
    480.36   1.601    282
    473.64   1.579    149
    466.46   1.555     45
    263.73   0.879    509
    256.40   0.855   1000
    249.05   0.830    442

in CDCl3