CAPRYLOHYDROXAMIC ACID(7377-03-9) ¹³C NMR

Product NameCAPRYLOHYDROXAMIC ACID

CAS 7377-03-9

Molecular FormulaC8H17NO2

Molecular Weight159.23

InChIInChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8(10)9-11/h11H,2-7H2,1H3,(H,9,10)

InChIKey RGUVUPQQFXCJFC-UHFFFAOYSA-N

SmilesC(NO)(=O)CCCCCCC

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Mass

MS-IW-3660          
octanohydroxamic acid
C8H17NO2            (Mass of molecular ion:    159)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       3.5
      27.0      12.6
      28.0       5.4
      29.0      20.1
      30.0       1.0
      32.0       2.1
      39.0       8.3
      40.0       1.8
      41.0      35.8
      42.0       8.1
      43.0      51.5
      44.0       3.1
      53.0       1.9
      54.0       1.2
      55.0      17.6
      56.0       3.1
      57.0     100.0
      58.0       6.2
      59.0       6.8
      60.0       2.7
      67.0       5.3
      69.0       2.7
      70.0       1.1
      71.0       2.2
      72.0       1.2
      75.0      19.5
      83.0       3.0
      84.0       1.6
      88.0       3.5
     102.0       1.1
     109.0       9.5
     127.0      87.0
     128.0       7.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₁₇ N O₂	0.036 g : 0.5 ml DMSO-d₆
octanohydroxamic acid

    Assign.     Shift(ppm)

      A     *1     10.3
      B     *1      8.7
      C             1.933
      D             1.476
      E          1.28 to 1.20
      F             0.860

     Hz     ppm     Int.

    780.03   1.952    251
    772.86   1.934    458
    765.38   1.916    281
    604.55   1.513     57
    596.92   1.494    154
    590.06   1.477    198
    583.19   1.460    135
    576.02   1.442     46
    517.43   1.295     95
    510.10   1.277    190
    495.15   1.239    997
    350.80   0.878    348
    344.09   0.861   1000
    336.91   0.844    387
    332.03   0.831     22

in DMSO-d6