n-Propyl nitrate(627-13-4) ¹H NMR

Product Namen-Propyl nitrate

CAS 627-13-4

Molecular FormulaC3H7NO3

Molecular Weight105.09

InChIInChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3

InChIKey JNTOKFNBDFMTIV-UHFFFAOYSA-N

Smiles[N+]([O-])(=O)OCCC

Request For Quotation

¹HNMR

IR1

Raman

n-Propyl nitrate(627-13-4) <sup>1</sup>H NMR
Mass

MS-NW-8871          
propyl nitrate
C3H7NO3             (Mass of molecular ion:    105)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.8
      26.0       3.1
      27.0      22.7
      28.0       9.1
      29.0      52.3
      30.0      15.0
      31.0      18.3
      39.0       2.9
      41.0      11.8
      42.0       4.0
      43.0      32.2
      44.0       1.5
      46.0     100.0
      55.0       1.6
      57.0       3.9
      58.0       1.1
      60.0       1.4
      76.0      45.0

parameter in CCl4

n-Propyl nitrate(627-13-4) <sup>1</sup>H NMR

¹H NMR	300 MHz
C₃ H₇ N O₃	in CCl₄
propyl nitrate

    Parameter     ppm  Hz

      D(A)         4.39
      D(B)         1.78
      D(C)         1.06
       J(A,B)          6.5
       J(A,C)          0.0
       J(B,C)          7.6
     
     CAVANAUGH,J.R. & DAILEY,B.P. J.CHEM.PHYS. 34, 1094 (1961)

     Hz     ppm     Int.

   1323.53   4.412    370
   1317.04   4.390    750
   1310.55   4.368    382
    552.08   1.840     37
    545.40   1.818     86
    544.41   1.815    125
    537.89   1.793    248
    536.91   1.790    153
    530.33   1.768    260
    523.77   1.746    134
    522.95   1.743    103
    516.30   1.721     44
    325.47   1.085    510
    317.87   1.060   1000
    310.31   1.034    437

liquid film