[1R-(endo,anti)]-3-bromo-2-oxobornane-8-sulphonic acid (5344-58-1) 13C NMR
Product Name[1R-(endo,anti)]-3-bromo-2-oxobornane-8-sulphonic acid
CAS5344-58-1
Molecular FormulaC10H15BrO4S
Molecular Weight311.19
InChIInChI=1S/C10H15BrO4S/c1-9-4-3-6(7(11)8(9)12)10(9,2)5-16(13,14)15/h6-7H,3-5H2,1-2H3,(H,13,14,15)/t6-,7+,9+,10-/m1/s1
InChIKey MFEDKMBNKNOUPA-GOZTYBTRSA-N
Smiles[C@@]12([H])[C@@](C)(CS(O)(=O)=O)[C@@](C)(CC1)C(=O)[C@H]2Br
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MassMS-NW-7371 3-bromo-(+)-camphor-8-sulfonic acid C10H15BrO4S (Mass of molecular ion: 310)
Source Temperature: 180 °C Sample Temperature: 170 °C Direct, 75 eV
15.0 1.5 18.0 3.5 26.0 2.0 27.0 22.3 28.0 3.8 29.0 12.9 38.0 2.7 39.0 45.7 40.0 12.3 41.0 56.9 42.0 3.5 43.0 12.1 48.0 2.3 50.0 3.3 51.0 11.5 52.0 6.4 53.0 25.5 54.0 5.6 55.0 19.2 56.0 1.8 57.0 1.4 58.0 1.1 59.0 1.1 63.0 3.6 64.0 2.0 65.0 14.3 66.0 5.5 67.0 20.9 68.0 36.0 69.0 22.5 70.0 1.3 77.0 21.6 78.0 5.8 79.0 33.8 80.0 9.9 81.0 44.3 82.0 9.5 83.0 2.3 91.0 24.1 92.0 5.0 93.0 38.4 94.0 9.1 95.0 7.0 96.0 1.7 97.0 1.0 99.0 6.7 103.0 2.0 104.0 1.0 105.0 15.5 106.0 6.7 107.0 28.0 108.0 4.6 109.0 3.1 119.0 4.0 120.0 3.2 121.0 100.0 122.0 12.9 123.0 2.2 131.0 2.7 135.0 8.8 136.0 1.6 148.0 1.2 149.0 24.6 150.0 4.3 151.0 1.7 159.0 1.8 161.0 1.3 163.0 3.5 167.0 4.7 185.0 1.1 187.0 1.5 188.0 1.8 200.0 5.1 201.0 3.7 202.0 6.0 203.0 10.8 204.0 1.2 213.0 1.9 231.0 11.9 232.0 1.6 310.0 3.5 312.0 3.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H15 Br O4 S 0.048 g : 0.5 ml DMSO-d6 3-bromo-(+)-camphor-8-sulfonic acid 
Assign. Shift(ppm)
A 5.002 B 2.979 C *1 2.95 D *1 2.52 E 2.103 F 1.867 G 1.767 J 1.200 K 1.104 L 0.842 H2O SIGNAL REMOVED ASSIGNED BY C-H COSY SIGNAL D OVERLAPPED BY SOLVENT PEAKS
Hz ppm Int.2001.83 5.009 78 2000.73 5.007 80 1997.07 4.998 79 1995.97 4.995 75 1194.82 2.990 56 1190.67 2.980 93 1185.06 2.966 104 1170.29 2.929 91 1015.50 2.541 206 1013.67 2.537 100 1011.84 2.532 64 1009.89 2.527 30 1001.46 2.506 133 839.72 2.102 30 755.62 1.891 30 749.76 1.877 32 746.22 1.868 50 706.18 1.767 39 484.25 1.212 30 479.25 1.200 43 441.28 1.105 694 336.79 0.843 1000
in DMSO-d6
in D2O
KBr disc
nujol mull
