(1S)-(-)-Camphanic acid(13429-83-9) MS
Product Name(1S)-(-)-Camphanic acid
CAS13429-83-9
Molecular FormulaC10H14O4
Molecular Weight198.22
InChIInChI=1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)/t9-,10+/m0/s1
InChIKey KPWKPGFLZGMMFX-VHSXEESVSA-N
Smiles[C@@]12(C(O)=O)C(C)(C)[C@@](C)(CC1)C(=O)O2
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MassMS-NW-8707 (1S)-(-)-omega-camphanic acid C10H14O4 H2O (Mass of molecular ion: 198)
Source Temperature: 180 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 1.2 17.0 1.9 18.0 11.3 26.0 1.0 27.0 15.7 28.0 8.2 29.0 10.9 38.0 1.0 39.0 22.1 40.0 4.2 41.0 53.7 42.0 5.8 43.0 29.6 44.0 2.5 45.0 5.5 50.0 1.3 51.0 4.0 52.0 1.8 53.0 11.9 54.0 4.1 55.0 64.1 56.0 4.0 57.0 2.3 59.0 1.7 63.0 1.1 65.0 4.5 66.0 1.6 67.0 31.9 68.0 3.6 69.0 27.9 70.0 12.0 71.0 1.5 77.0 7.2 78.0 1.3 79.0 6.4 80.0 1.1 81.0 8.9 82.0 37.4 83.0 100.0 84.0 7.4 85.0 1.4 88.0 2.9 91.0 6.8 92.0 1.7 93.0 27.3 94.0 3.4 95.0 16.2 96.0 3.5 97.0 32.5 98.0 2.7 105.0 1.0 106.0 1.7 107.0 34.2 108.0 8.5 109.0 89.6 110.0 9.0 111.0 21.1 112.0 4.3 113.0 2.7 121.0 2.8 124.0 21.3 125.0 44.0 126.0 5.3 127.0 27.3 128.0 2.0 135.0 1.1 137.0 18.6 138.0 2.0 139.0 68.1 140.0 6.2 141.0 1.0 142.0 1.0 151.0 1.0 152.0 54.4 153.0 6.9 154.0 6.8 155.0 2.9 170.0 69.7 171.0 7.1 181.0 1.0 198.0 1.6 199.0 1.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H14 O4 0.040 g : 0.5 ml DMSO-d6 (1S)-(-)-omega-camphanic acid 
Assign. Shift(ppm)
A 14. B 2.349 C 1.96 D 1.90 E 1.538 F 1.006 G 0.844 ASSIGNED BY C-H COSY.
Hz ppm Int.942.77 2.359 34 940.21 2.353 35 938.71 2.349 36 935.94 2.342 36 925.25 2.316 30 786.14 1.968 32 784.01 1.962 34 781.66 1.956 42 771.83 1.932 51 769.69 1.926 49 761.36 1.906 37 757.08 1.895 47 614.56 1.538 44 402.15 1.007 1000 337.62 0.845 535
in DMSO-d6
KBr disc
