Molecular FormulaC23H24O3
Molecular Weight348.43
InChIInChI=1S/C23H24O3/c1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25/h4-11,24-26H,12-13H2,1-3H3
InChIKey MAQOZOILPAMFSW-UHFFFAOYSA-N
SmilesC1(O)=C(CC2=CC(C)=CC=C2O)C=C(C)C=C1CC1=CC(C)=CC=C1O
Mass
MS-KW-0238 2,6-bis(2-hydroxy-5-methylbenzyl)-p-cresol C23H24O3 (Mass of molecular ion: 348)
Source Temperature: 190 °C Sample Temperature: 190 °C Direct, 75 eV
17.0 1.3 18.0 5.8 27.0 1.8 28.0 2.5 39.0 3.0 41.0 2.5 43.0 2.3 51.0 2.5 52.0 1.1 53.0 3.0 55.0 2.5 63.0 1.3 65.0 4.1 77.0 12.7 78.0 2.8 79.0 4.6 80.0 1.1 89.0 1.6 90.0 1.3 91.0 12.4 92.0 3.3 93.0 3.2 103.0 1.9 104.0 1.6 105.0 5.9 106.0 1.1 107.0 11.2 108.0 42.2 109.0 3.7 115.0 3.8 116.0 1.3 119.0 3.1 120.0 5.3 121.0 100.0 122.0 10.4 123.0 1.0 127.0 1.5 128.0 3.2 129.0 2.1 131.0 1.4 132.0 1.1 133.0 12.4 134.0 1.9 135.0 1.1 139.0 1.0 141.0 2.7 142.0 1.6 143.0 1.0 145.0 2.2 152.0 3.0 153.0 2.6 154.0 1.2 155.0 1.4 157.0 1.2 165.0 6.5 166.0 3.8 167.0 1.9 168.0 1.6 169.0 1.3 174.0 2.2 178.0 3.1 179.0 2.8 180.0 1.2 181.0 4.5 182.0 2.6 183.0 1.7 193.0 1.2 194.0 1.6 195.0 7.2 196.0 3.6 197.0 3.5 199.0 1.3 207.0 1.1 208.0 2.0 209.0 10.2 210.0 5.2 211.0 4.5 212.0 2.0 213.0 1.2 221.0 1.0 222.0 2.8 223.0 36.0 224.0 8.3 225.0 39.1 226.0 7.1 227.0 15.3 228.0 55.7 229.0 9.6 230.0 1.1 239.0 17.4 240.0 54.4 241.0 13.2 242.0 1.9 315.0 1.1 329.0 1.8 330.0 1.9 348.0 47.8 349.0 12.0 350.0 1.7
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C23H24O3 | 0.041 g : 0.5 ml DMSO-d6 |
2,6-bis(2-hydroxy-5-methylbenzyl)-p-cresol |
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Assign. Shift(ppm) |
Hz ppm Int.
3745.89 9.370 46 3286.90 8.222 13 2724.00 6.814 134 2717.90 6.799 384 2687.38 6.723 243 2684.64 6.716 55 2681.74 6.708 52 2678.69 6.701 164 2671.67 6.683 9 2651.68 6.633 340 1509.86 3.777 476 1489.42 3.726 10 910.95 2.279 8 849.00 2.124 1000 821.23 2.055 492 785.37 1.965 8
in DMSO-d6
2,6-BIS[(2-HYDROXY-5-METHYLPHENYL)METHYL]-4-METHYLPHENOL(1620-68-4) 13C NMR Atlas of Related Products