2-(HYDROXYMETHYL)ANTHRAQUINONE(17241-59-7) 1H NMR
Product Name2-(HYDROXYMETHYL)ANTHRAQUINONE
CAS17241-59-7
Molecular FormulaC15H10O3
Molecular Weight238.24
InChIInChI=1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2
InChIKey JYKHAJGLEVKEAA-UHFFFAOYSA-N
SmilesC1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1CO
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MassMS-NW-6189 2-(hydroxymethyl)anthraquinone C15H10O3 (Mass of molecular ion: 238)
Source Temperature: 220 °C Sample Temperature: 210 °C Direct, 75 eV
18.0 4.0 27.0 1.0 28.0 2.0 29.0 2.2 31.0 1.7 39.0 2.4 50.0 5.6 51.0 5.3 52.0 1.0 53.0 1.3 62.0 2.1 63.0 3.7 69.5 1.1 74.0 5.0 75.0 9.0 75.5 2.3 76.0 10.9 76.5 1.0 77.0 10.8 78.0 1.6 81.5 1.7 82.0 2.7 82.5 1.8 86.0 1.5 87.0 2.2 89.0 1.5 90.0 1.4 90.5 1.2 98.0 1.3 99.0 1.8 101.0 1.5 102.0 1.1 103.0 1.3 104.0 3.1 105.0 10.1 106.0 1.0 115.0 1.3 119.0 1.4 125.0 1.7 126.0 2.6 127.0 2.5 133.0 1.1 139.0 1.5 150.0 8.3 151.0 21.2 152.0 28.9 153.0 20.3 154.0 4.1 163.0 5.1 164.0 10.6 165.0 10.1 166.0 2.8 179.0 4.1 180.0 3.8 181.0 24.4 182.0 4.7 192.0 10.4 193.0 6.5 194.0 5.6 207.0 8.0 208.0 2.8 209.0 100.0 210.0 25.8 211.0 3.4 220.0 1.4 221.0 2.7 222.0 9.2 223.0 1.8 235.0 15.5 236.0 17.7 237.0 9.7 238.0 75.4 239.0 13.0 240.0 1.7
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C15 H10 O3 0.033 g : 0.5 ml DMSO-d6 2-(hydroxymethyl)anthraquinone 
Assign. Shift(ppm)
A 8.15 B 8.113 C 8.110 D 7.89 E 7.810 F 5.62 G 4.707
Hz ppm Int.3262.21 8.163 405 3259.28 8.156 637 3256.35 8.149 639 3254.03 8.143 471 3253.17 8.141 640 3250.12 8.133 527 3245.36 8.121 847 3243.41 8.116 740 3242.92 8.115 735 3242.07 8.113 731 3241.70 8.112 730 3237.55 8.101 853 3163.70 7.917 127 3162.84 7.915 102 3159.30 7.906 954 3156.37 7.898 594 3155.52 7.896 557 3153.81 7.892 591 3150.15 7.883 838 3145.75 7.872 93 3125.85 7.822 413 3125.00 7.820 374 3124.27 7.818 362 3117.80 7.802 357 3116.94 7.800 334 3116.21 7.798 324 2251.95 5.635 408 2246.22 5.621 899 2240.48 5.607 428 1883.91 4.714 1000 1878.17 4.700 977
in DMSO-d6
KBr disc
nujol mull
