6-Heptynoic acid(30964-00-2) IR1

Product Name6-Heptynoic acid

CAS 30964-00-2

Molecular FormulaC7H10O2

Molecular Weight126.15

InChIInChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h1H,3-6H2,(H,8,9)

InChIKey OFCPMJGTZUVUSM-UHFFFAOYSA-N

SmilesC(O)(=O)CCCCC#C

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9267          
6-heptynoic acid
C7H10O2             (Mass of molecular ion:    126)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.6
      26.0       2.3
      27.0      29.0
      28.0       8.3
      29.0       6.0
      31.0       3.2
      37.0       1.7
      38.0       4.7
      39.0      38.9
      40.0      15.5
      41.0      55.6
      42.0      11.0
      43.0      42.1
      44.0       2.2
      45.0      44.1
      46.0       1.1
      50.0       5.7
      51.0      10.0
      52.0       8.0
      53.0      24.3
      54.0      10.1
      55.0      13.4
      56.0       4.7
      57.0       2.8
      58.0       1.2
      60.0      38.8
      61.0       2.1
      62.0       1.0
      63.0       1.8
      65.0      11.2
      66.0      16.9
      67.0      45.2
      68.0       5.5
      69.0      10.1
      70.0       5.9
      71.0       4.3
      73.0       5.4
      74.0       2.5
      77.0       6.8
      78.0       1.8
      79.0      26.2
      80.0      24.5
      81.0     100.0
      82.0       8.5
      83.0       9.3
      84.0      33.8
      85.0       3.1
      87.0      16.0
      96.0       1.2
      97.0      11.9
      98.0       4.7
     107.0       3.2
     108.0       4.5
     109.0       2.3
     111.0      12.8
     125.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₀ O₂	0.05 ml : 0.5 ml CDCl₃
6-heptynoic acid

    Assign.     Shift(ppm)

      A            11.2
      B             2.394
      C             2.224
      D             1.980
      E             1.760
      F             1.591

     Hz     ppm     Int.

    964.55   2.414    619
    957.23   2.396   1000
    949.72   2.377    657
    945.69   2.367     37
    897.70   2.247    355
    894.95   2.240    365
    890.74   2.229    692
    887.99   2.222    723
    883.60   2.211    396
    881.03   2.205    407
    877.00   2.195     33
    794.21   1.988    493
    791.65   1.981    855
    788.90   1.974    447
    719.66   1.801    131
    712.33   1.783    358
    709.40   1.776    143
    704.46   1.763    411
    701.71   1.756    200
    696.77   1.744    369
    694.57   1.738    136
    689.26   1.725    190
    650.61   1.628    160
    649.87   1.627    164
    644.93   1.614    167
    643.10   1.610    384
    637.97   1.597    240
    635.22   1.590    401
    630.83   1.579    134
    627.89   1.572    301
    627.53   1.571    301
    621.12   1.555    101
    620.38   1.553    103

in CDCl3