Back ChemicalBook Home>CAS DataBase List>70135-92-1More Spectrum> 8,8-Dimethyl-8,9,10,11-tetrahydro-7H-cycloocta[de]naphthalen-9-one(70135-92-1) 1H NMR
8,8-Dimethyl-8,9,10,11-tetrahydro-7H-cycloocta[de]naphthalen-9-one(70135-92-1) 1H NMR
Molecular FormulaC17H18O
Molecular Weight238.32
InChIInChI=1S/C17H18O/c1-17(2)11-14-8-4-6-12-5-3-7-13(16(12)14)9-10-15(17)18/h3-8H,9-11H2,1-2H3
InChIKey CBTVNBSNGGETHX-UHFFFAOYSA-N
SmilesC1=C2C3C(CC(C)(C)C(=O)CCC=3C=C1)=CC=C2
400 MHz in CDCl3
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1H NMR 399.65 MHz C17 H18 O 6 wt% in CDCl3 8,8-dimethyl-9-oxo-8,9,10,11-tetrahydro-7H-cycloocta(de)naphthalene 
Assign. Shift(ppm)
A 7.68 B 7.28 C *1 7.219 D *1 7.147 E 4.656 F 4.482 G 3.408 J 3.030 K 2.730 L 2.550 M 1.461 N 0.941 J(E,K)=14.5HZ. J(F,J)=14.0HZ. J(F,G)=6.2HZ. J(F,L)=14HZ. J(G,L)=13.8HZ.
Hz ppm Int.3077.27 7.700 118 3075.81 7.697 127 3074.46 7.693 125 3072.88 7.689 122 3069.09 7.680 133 3067.63 7.676 140 3067.02 7.675 135 3066.41 7.673 139 3064.82 7.669 128 2918.95 7.304 127 2917.60 7.301 141 2911.87 7.287 207 2910.77 7.284 267 2909.55 7.281 148 2903.81 7.266 188 2902.47 7.263 165 2888.67 7.229 140 2887.21 7.225 145 2881.71 7.211 89 2880.13 7.207 84 2860.23 7.157 125 2859.62 7.156 114 2858.89 7.154 127 2853.27 7.140 100 2852.54 7.138 89 2851.81 7.136 98 1868.04 4.675 106 1853.52 4.638 109 1808.47 4.526 32 1802.37 4.510 36 1794.92 4.492 46 1794.43 4.491 46 1788.57 4.476 46 1780.40 4.455 35 1774.05 4.440 34 1373.41 3.437 57 1370.73 3.430 62 1367.07 3.421 61 1364.38 3.414 59 1359.62 3.403 64 1357.06 3.396 68 1353.39 3.387 62 1350.71 3.380 59 1222.17 3.059 33 1221.31 3.056 32 1220.70 3.055 34 1215.70 3.042 36 1215.09 3.041 37 1213.62 3.037 35 1213.13 3.036 34 1208.37 3.024 30 1207.76 3.023 32 1207.40 3.022 32 1205.93 3.018 31 1205.32 3.016 31 1204.71 3.015 30 1200.68 3.005 32 1200.20 3.004 33 1199.58 3.002 31 1198.73 3.000 30 1098.39 2.749 105 1083.74 2.712 100 1035.52 2.592 58 1028.44 2.574 59 1022.09 2.558 98 1015.01 2.540 91 1008.54 2.524 55 1001.46 2.506 46 584.35 1.463 1000 376.34 0.942 844
in CDCl3
