(1R)-(-)-CAMPHORQUINONE(10334-26-6) MS
Product Name(1R)-(-)-CAMPHORQUINONE
CAS10334-26-6
Molecular FormulaC10H14O2
Molecular Weight166.22
InChIInChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3/t6-,10+/m1/s1
InChIKey VNQXSTWCDUXYEZ-LDWIPMOCSA-N
Smiles[C@]12(C)C(C)(C)[C@]([H])(CC1)C(=O)C2=O
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MassMS-IW-9064 (1R)-(-)-camphorquinone C10H14O2 (Mass of molecular ion: 166)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.2 27.0 16.4 28.0 4.0 29.0 8.0 38.0 1.5 39.0 22.0 40.0 4.2 41.0 59.7 42.0 3.3 43.0 6.2 50.0 1.5 51.0 4.0 52.0 2.1 53.0 10.3 54.0 2.3 55.0 74.0 56.0 3.6 63.0 1.1 65.0 3.1 66.0 1.4 67.0 21.6 68.0 3.9 69.0 74.4 70.0 4.4 77.0 4.8 78.0 1.1 79.0 5.0 80.0 1.7 81.0 3.9 82.0 6.6 83.0 84.4 84.0 6.0 91.0 2.3 93.0 3.0 94.0 1.6 95.0 100.0 96.0 11.1 97.0 2.0 109.0 3.2 110.0 10.7 111.0 1.0 123.0 16.8 124.0 1.6 138.0 40.6 139.0 4.2 166.0 14.9 167.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H14 O2 0.038 g : 0.5 ml CDCl3 (1R)-(-)-camphorquinone 
Assign. Shift(ppm)
A 2.640 B *1 2.178 C *1 1.935 D *2 1.657 E *2 1.627 F 1.111 G 1.073 J 0.939
Hz ppm Int.1057.98 2.648 113 1052.61 2.634 124 885.74 2.217 41 880.49 2.204 33 876.71 2.194 47 875.49 2.191 35 873.29 2.186 42 871.46 2.181 40 870.48 2.179 37 868.04 2.173 41 864.26 2.163 42 862.18 2.158 38 859.01 2.150 39 856.57 2.144 30 786.38 1.968 36 784.06 1.962 39 783.45 1.961 40 774.90 1.939 45 774.29 1.938 48 772.46 1.933 49 771.48 1.931 72 762.57 1.909 48 761.96 1.907 43 672.97 1.684 30 663.70 1.661 68 660.28 1.653 161 651.73 1.631 184 648.93 1.624 65 444.21 1.112 1000 439.94 1.101 70 429.08 1.074 822 375.49 0.940 755
in CDCl3
KBr disc
nujol mull
