1-ACENAPHTHENOL(6306-07-6) IR2
Product Name1-ACENAPHTHENOL
CAS6306-07-6
Molecular FormulaC12H10O
Molecular Weight170.21
InChIInChI=1S/C12H10O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2
InChIKey MXUCIEHYJYRTLT-UHFFFAOYSA-N
SmilesC1(O)C2C3C(C=CC=2)=CC=CC=3C1
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MassMS-NW-9438 1-acenaphthenol C12H10O (Mass of molecular ion: 170)
Source Temperature: 160 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 1.5 39.0 1.7 50.0 1.6 51.0 2.1 57.5 2.5 62.0 1.9 63.0 7.3 69.0 2.6 69.5 4.2 70.0 5.4 70.5 2.2 71.0 1.7 74.0 2.3 75.0 4.7 75.5 3.3 76.0 11.9 76.5 2.1 77.0 1.6 84.0 8.3 84.5 6.3 85.0 7.5 86.0 1.2 87.0 1.7 89.0 2.3 98.0 1.0 106.0 1.1 113.0 1.5 114.0 1.1 115.0 12.3 116.0 1.2 126.0 2.2 127.0 3.6 139.0 11.5 140.0 4.9 141.0 27.1 142.0 4.7 150.0 6.5 151.0 11.8 152.0 50.7 153.0 29.3 154.0 3.9 155.0 4.4 168.0 5.1 169.0 91.4 170.0 100.0 171.0 12.6 172.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H10 O 13 mg : 0.5 ml CDCl3 1-acenaphthenol 
Assign. Shift(ppm)
A 7.743 B 7.649 C 7.537 D 7.52 E 7.486 F 7.296 G 5.699 J *1 3.775 K *1 3.220 L 2.04
Hz ppm Int.3099.49 7.756 242 3099.12 7.755 242 3097.78 7.752 292 3092.29 7.738 235 3091.55 7.736 257 3090.58 7.734 296 3062.01 7.662 305 3061.16 7.660 301 3053.71 7.641 393 3052.86 7.639 384 3021.97 7.562 261 3015.01 7.545 680 3007.69 7.526 1000 3006.47 7.523 519 3005.74 7.521 423 3001.22 7.510 137 3000.24 7.508 156 2998.90 7.504 430 2992.07 7.487 444 2990.72 7.484 294 2983.76 7.466 337 2919.43 7.305 304 2918.58 7.303 294 2912.60 7.288 251 2911.87 7.287 244 2282.59 5.712 219 2281.74 5.710 155 2280.03 5.706 231 2279.30 5.704 140 2275.39 5.694 233 2274.54 5.692 165 2272.95 5.688 227 2272.09 5.686 134 1522.83 3.811 111 1521.73 3.808 158 1520.63 3.805 104 1515.63 3.793 112 1514.65 3.790 158 1513.55 3.788 103 1505.13 3.767 133 1504.03 3.764 188 1503.05 3.761 124 1498.05 3.749 127 1496.95 3.746 180 1495.85 3.743 117 1296.88 3.246 136 1295.90 3.243 200 1294.68 3.240 227 1293.46 3.237 193 1292.36 3.234 124 1279.17 3.201 117 1278.20 3.199 171 1276.98 3.196 193 1275.76 3.193 164 1274.54 3.190 104 817.26 2.045 60
in CDCl3
KBr disc
nujol mull
