1,8-BIS(HYDROXYMETHYL)ANTHRACENE(34824-20-9) MS
Product Name1,8-BIS(HYDROXYMETHYL)ANTHRACENE
CAS34824-20-9
Molecular FormulaC16H14O2
Molecular Weight238.28
InChIInChI=1S/C16H14O2/c17-9-13-5-1-3-11-7-12-4-2-6-14(10-18)16(12)8-15(11)13/h1-8,17-18H,9-10H2
InChIKey GSHJWFSWKUADLL-UHFFFAOYSA-N
SmilesC1(CO)=C2C(C=C3C(=C2)C(CO)=CC=C3)=CC=C1
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MassMS-KW-0566 1,8-anthracenedimethanol C16H14O2 (Mass of molecular ion: 238)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
17.0 1.3 18.0 6.9 28.0 1.2 39.0 1.2 51.0 1.4 63.0 2.4 74.0 1.3 75.0 2.6 76.0 4.4 77.0 1.1 81.0 1.0 81.5 2.1 82.0 2.5 82.5 4.5 83.0 1.6 87.0 1.7 88.0 4.5 88.5 1.2 89.0 4.4 93.5 1.8 94.0 2.5 94.5 6.8 95.0 5.9 95.5 4.2 96.0 4.9 97.0 1.7 100.0 1.0 101.0 1.7 102.5 1.6 103.0 1.5 104.0 1.9 104.5 1.1 109.0 5.5 109.5 2.6 110.0 7.7 110.5 1.5 115.0 1.4 118.0 1.0 126.0 1.1 139.0 1.7 150.0 2.8 151.0 4.3 152.0 5.1 153.0 1.1 163.0 3.1 164.0 1.7 165.0 8.6 166.0 2.0 174.0 1.3 175.0 1.7 176.0 8.9 177.0 6.7 178.0 29.8 179.0 25.2 180.0 4.0 187.0 3.1 188.0 2.9 189.0 24.6 190.0 16.2 191.0 68.5 192.0 32.8 193.0 6.4 194.0 1.5 201.0 1.4 202.0 3.4 203.0 2.7 204.0 1.7 205.0 4.9 206.0 5.7 207.0 4.6 208.0 1.6 209.0 1.8 218.0 1.1 219.0 23.0 220.0 31.8 221.0 14.8 222.0 6.9 223.0 1.3 236.0 4.3 237.0 1.7 238.0 100.0 239.0 17.5 240.0 1.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C16H14O2 0.030 g : 0.5 ml DMSO-d6 1,8-anthracenedimethanol 
Assign. Shift(ppm)
A 8.776 B 8.580 C 7.979 D 7.591 E 7.483 F 5.44 G 5.155
Hz ppm Int.3508.31 8.776 124 3429.94 8.580 156 3194.10 7.990 121 3185.55 7.969 131 3038.82 7.602 99 3037.85 7.599 105 3032.11 7.585 139 3031.13 7.582 139 3002.57 7.511 147 2995.85 7.494 114 2994.15 7.490 143 2987.43 7.473 99 2180.91 5.456 123 2175.30 5.442 306 2169.80 5.428 146 2063.36 5.162 283 2057.87 5.148 254 1368.54 3.424 1000
in DMSO-d6
KBr disk
Nujol
