1,3,5-Cyclohexanetriol(2041-15-8) 1H NMR
Product Name1,3,5-Cyclohexanetriol
CAS2041-15-8
Molecular FormulaC6H12O3
Molecular Weight132.16
InChIInChI=1S/C6H12O3/c7-4-1-5(8)3-6(9)2-4/h4-9H,1-3H2
InChIKey FSDSKERRNURGGO-UHFFFAOYSA-N
SmilesC1(O)CC(O)CC(O)C1
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MassMS-NW-7671 1,3,5-cyclohexanetriol C6H12O3 (Mass of molecular ion: 132)
Source Temperature: 200 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 5.8 18.0 1.0 19.0 10.5 26.0 1.5 27.0 15.9 28.0 2.4 29.0 13.4 31.0 7.8 38.0 1.4 39.0 14.1 40.0 3.9 41.0 23.2 42.0 25.7 43.0 39.8 44.0 58.6 45.0 91.5 46.0 2.4 47.0 5.1 51.0 1.2 53.0 2.7 54.0 1.1 55.0 4.3 57.0 4.6 58.0 3.2 65.0 1.5 66.0 1.3 67.0 11.0 68.0 17.1 69.0 4.9 70.0 24.2 71.0 8.0 72.0 1.1 73.0 100.0 74.0 3.7 78.0 1.1 81.0 1.1 86.0 2.5 91.0 7.1 95.0 1.9 96.0 14.8 97.0 1.6 113.0 1.2 114.0 9.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H12 O3 0.040 g : 0.5 ml DMSO-d6 1,3,5-cyclohexanetriol 
Assign. Shift(ppm)
A 4.62 B 3.348 C 1.957 D 0.966
Hz ppm Int.1848.88 4.627 1000 1844.12 4.615 967 1352.17 3.384 157 1347.66 3.373 182 1346.68 3.370 173 1344.85 3.366 198 1344.48 3.365 198 1341.06 3.356 302 1336.91 3.346 301 1333.62 3.337 193 1332.89 3.336 192 1332.52 3.335 191 1329.96 3.328 187 1325.56 3.317 153 787.96 1.972 329 783.81 1.962 245 780.76 1.954 255 777.10 1.945 332 402.71 1.008 193 391.24 0.979 488 385.62 0.965 91 379.88 0.951 467 368.41 0.922 162
in DMSO-d6
in D2O
KBr disc
nujol mull
