3-NORADAMANTANECARBOXYLIC ACID(16200-53-6) MS
Product Name3-NORADAMANTANECARBOXYLIC ACID
CAS16200-53-6
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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MassMS-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
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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
KBr disc
nujol mull
