5,12-dihydronaphthacene(959-02-4) MS
Product Name5,12-dihydronaphthacene
CAS959-02-4
Molecular FormulaC18H14
Molecular Weight230.3
InChIInChI=1S/C18H14/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-10H,11-12H2
InChIKey WSXODQAKLVVOCS-UHFFFAOYSA-N
SmilesC1=C2C(CC3=C(C2)C=C2C(C=CC=C2)=C3)=CC=C1
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MassMS-NW-6284 5,12-dihydronaphthacene C18H14 (Mass of molecular ion: 230)
Source Temperature: 180 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 1.3 39.0 1.2 51.0 1.2 63.0 1.9 74.0 1.2 75.0 1.7 76.0 1.4 87.0 1.5 88.0 3.1 89.0 1.1 94.5 1.1 99.0 1.0 100.0 3.3 100.5 1.1 101.0 7.7 101.5 1.4 107.5 4.3 112.0 2.0 112.5 1.2 113.0 6.5 113.5 2.0 114.0 15.6 114.5 5.7 115.0 6.8 115.5 1.0 150.0 1.2 151.0 1.0 176.0 1.3 187.0 1.0 189.0 1.4 200.0 2.7 201.0 1.9 202.0 5.0 203.0 1.3 213.0 1.2 215.0 7.4 216.0 1.5 224.0 2.9 225.0 2.4 226.0 15.1 227.0 6.5 228.0 55.6 229.0 78.3 230.0 100.0 231.0 18.1 232.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C18 H14 saturated in CDCl3 5,12-dihydronaphthacene 
Assign. Shift(ppm)
A 7.779 B 7.748 C 7.409 D 7.335 E 7.209 F 4.078
Hz ppm Int.3114.01 7.792 179 3110.72 7.784 179 3107.91 7.777 182 3104.49 7.769 220 3101.93 7.762 59 3100.34 7.758 57 3096.31 7.748 463 2969.36 7.430 32 2968.87 7.429 32 2965.94 7.422 329 2963.99 7.417 51 2962.65 7.414 230 2959.59 7.406 248 2957.89 7.402 55 2956.42 7.398 347 2953.13 7.390 47 2951.90 7.387 46 2940.19 7.357 32 2936.52 7.348 153 2933.11 7.340 170 2931.15 7.335 183 2927.61 7.326 221 2923.83 7.316 57 2890.99 7.234 34 2889.89 7.232 43 2885.74 7.221 279 2882.45 7.213 204 2880.25 7.207 228 2876.95 7.199 246 2873.41 7.190 32 2872.92 7.189 32 2871.95 7.187 31 1629.76 4.078 1000
in CDCl3
KBr disc
nujol mull
ANION RADICAL, REDUCTION WITH K IN DME AT -72C
ANION RADICAL, REDUCTION WITH K IN TETRAHYDROPYRAN
ANION RADICAL, REDUCTION WITH K IN THF AT -56C
ANION RADICAL, REDUCTION WITH LI IN THF AT -92C
