1-METHYLCYCLOPROPANE-1-CARBOXYLIC ACID(6914-76-7) Raman

Product Name1-METHYLCYCLOPROPANE-1-CARBOXYLIC ACID

CAS 6914-76-7

Molecular FormulaC5H8O2

Molecular Weight100.12

InChIInChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)

InChIKey DIZKLZKLNKQFGB-UHFFFAOYSA-N

SmilesC1(C)(C(O)=O)CC1

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Mass

MS-NW-8562          
1-methylcyclopropanecarboxylic acid
C5H8O2              (Mass of molecular ion:    100)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       2.1
      26.0       7.6
      27.0      35.8
      28.0      16.0
      29.0      46.9
      30.0       1.3
      31.0       1.7
      37.0       2.0
      38.0       3.7
      39.0      37.0
      40.0       4.1
      41.0      28.7
      42.0       3.7
      43.0      12.0
      44.0       1.6
      45.0      16.7
      49.0       1.0
      50.0       4.9
      51.0       5.5
      52.0       1.9
      53.0      19.9
      54.0      20.6
      55.0     100.0
      56.0      22.5
      57.0       7.1
      58.0       3.7
      59.0       3.3
      60.0       1.4
      69.0       3.3
      71.0       2.9
      72.0       4.3
      73.0       2.9
      74.0       2.5
      81.0       1.9
      82.0      13.1
      83.0       4.4
      85.0      28.8
      86.0       1.4
      99.0      27.9
     100.0      24.5
     101.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₈ O₂	0.05 ml : 0.5 ml CDCl₃
1-methylcyclopropanecarboxylic acid

    Assign.     Shift(ppm)

      A            12.2
      B             1.29
      C             1.282
      D             0.742

     Hz     ppm     Int.

   4891.82  12.241     50
    520.93   1.304    212
    520.19   1.302    192
    519.64   1.301    151
    519.09   1.299    173
    517.08   1.294    507
    516.71   1.293    512
    513.60   1.286    714
    512.32   1.282   1000
    501.88   1.256     32
    500.41   1.253     39
    302.41   0.757    203
    301.68   0.755    186
    298.20   0.747    650
    295.08   0.739    548
    291.42   0.730    165
    290.69   0.728    151

in CDCl3