2,6-Bis(hydroxymethyl)-p-cresol(91-04-3) IR1
Product Name2,6-Bis(hydroxymethyl)-p-cresol
CAS91-04-3
Molecular FormulaC9H12O3
Molecular Weight168.19
InChIInChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3
InChIKey KUMMBDBTERQYCG-UHFFFAOYSA-N
SmilesC1(CO)=CC(C)=CC(CO)=C1O
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MassMS-NW-8275 2,6-bis(hydroxymethyl)-p-cresol C9H12O3 (Mass of molecular ion: 168)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.8 18.0 8.3 27.0 7.2 28.0 2.5 29.0 4.1 31.0 3.8 38.0 1.3 39.0 14.4 40.0 2.2 41.0 6.6 43.0 3.3 45.0 1.0 50.0 2.8 51.0 10.6 52.0 4.0 53.0 9.1 54.0 1.1 55.0 3.8 60.0 3.8 61.0 1.0 62.0 1.5 63.0 5.8 64.0 1.9 65.0 18.5 66.0 2.9 67.0 1.9 74.0 1.4 75.0 1.6 76.0 1.0 77.0 35.8 78.0 9.6 79.0 34.0 80.0 2.9 81.0 1.8 89.0 3.6 90.0 1.7 91.0 34.3 92.0 5.0 93.0 19.1 94.0 8.0 95.0 1.4 102.0 1.0 103.0 7.7 104.0 12.6 105.0 10.2 106.0 1.7 107.0 47.2 108.0 4.2 109.0 4.2 119.0 6.4 120.0 7.2 121.0 97.0 122.0 46.4 123.0 4.1 131.0 1.0 132.0 5.4 133.0 6.3 134.0 2.6 135.0 8.6 136.0 1.1 147.0 4.3 148.0 3.1 149.0 69.4 150.0 100.0 151.0 11.6 152.0 1.6 168.0 73.5 169.0 7.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H12 O3 0.030 g : 0.5 ml DMSO-d6 2,6-bis(hydroxymethyl)-p-cresol 
Assign. Shift(ppm)
A 8.32 B 6.943 C 5.20 D 4.521 E 2.200 J(C,D)=5.3HZ
Hz ppm Int.3326.26 8.323 225 2775.12 6.944 564 2082.82 5.212 140 2077.48 5.199 299 2071.99 5.185 149 1809.54 4.528 562 1804.20 4.515 550 879.52 2.201 1000
KBr disc
nujol mull
