3-NORADAMANTANECARBOXYLIC ACID(16200-53-6) ¹³C NMR

Product Name3-NORADAMANTANECARBOXYLIC ACID

CAS 16200-53-6

Molecular FormulaC10H14O2

Molecular Weight166.22

InChIInChI=1S/C10H14O2/c11-9(12)10-4-6-1-7(5-10)3-8(10)2-6/h6-8H,1-5H2,(H,11,12)

InChIKey RXUUYFUQAGICCD-UHFFFAOYSA-N

SmilesC1C2C3(C(O)=O)CC(CC1C3)C2

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Mass

MS-IW-8673          
3-noradamantanecarboxylic acid
C10H14O2            (Mass of molecular ion:    166)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.4
      27.0       4.0
      29.0       2.0
      39.0       8.0
      40.0       1.4
      41.0       9.4
      43.0       2.6
      45.0       1.3
      51.0       2.8
      52.0       1.5
      53.0       5.6
      54.0       4.7
      55.0       4.4
      65.0       3.6
      66.0       3.1
      67.0       8.1
      68.0       3.8
      69.0       1.3
      70.0       1.5
      73.0       1.6
      77.0      10.3
      78.0       6.7
      79.0      34.8
      80.0      41.3
      81.0     100.0
      82.0       7.8
      86.0       4.8
      87.0       7.8
      91.0       7.8
      92.0       5.7
      93.0       8.2
      94.0       3.1
      95.0       1.2
      97.0       2.0
      99.0       1.1
     105.0       3.8
     106.0       1.6
     107.0       1.3
     110.0       2.6
     111.0       1.5
     112.0       1.1
     119.0       1.4
     120.0       9.5
     121.0      17.0
     122.0       2.5
     123.0       5.5
     124.0       7.0
     125.0       2.4
     130.0       1.0
     133.0       1.2
     137.0       1.2
     138.0       1.0
     148.0       8.9
     149.0       1.5
     166.0      61.2
     167.0       7.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₄ O₂	0.039 g : 0.5 ml CDCl₃
3-noradamantanecarboxylic acid

    Assign.     Shift(ppm)

      A             2.714
      B             2.306
      C     *1      2.094
      D     *2      1.82
      E     *1      1.81
      F             1.63
      G     *2      1.59

     Hz     ppm     Int.

   1091.67   2.732    236
   1084.90   2.715    470
   1078.12   2.698    254
    921.14   2.305    709
    844.03   2.112    438
    842.93   2.110    449
    841.65   2.106    434
    839.82   2.102    294
    835.24   2.090    370
    833.41   2.086    553
    832.31   2.083    533
    831.03   2.080    502
    827.91   2.072    180
    734.13   1.837    271
    729.00   1.825    879
    726.07   1.817   1000
    722.77   1.809    400
    720.76   1.804    429
    718.75   1.799    790
    715.81   1.792    793
    658.85   1.649    844
    656.10   1.642    730
    650.42   1.628    240
    647.86   1.622    860
    645.84   1.617    904
    641.08   1.605    228
    640.35   1.603    220
    638.15   1.597    329
    637.42   1.595    365
    635.40   1.590    518
    633.21   1.585    338
    632.66   1.584    317
    622.40   1.558    164

in CDCl3