3-Hydroxybenzyl alcohol(620-24-6) 13C NMR
Product Name3-Hydroxybenzyl alcohol
CAS620-24-6
Molecular FormulaC7H8O2
Molecular Weight124.14
InChIInChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2
InChIKey OKVJCVWFVRATSG-UHFFFAOYSA-N
SmilesC1(CO)=CC=CC(O)=C1
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MassMS-NW-8087 3-hydroxybenzyl alcohol C7H8O2 (Mass of molecular ion: 124)
Source Temperature: 160 °C Sample Temperature: 90 °C Direct, 75 eV
18.0 2.9 26.0 1.8 27.0 9.2 28.0 3.4 29.0 8.4 31.0 6.7 37.0 3.7 38.0 9.7 39.0 39.0 40.0 6.7 41.0 15.5 42.0 1.8 43.0 3.1 47.0 1.1 49.0 1.2 50.0 8.7 51.0 18.4 52.0 6.6 53.0 9.0 54.0 1.0 55.0 10.0 61.0 2.8 61.5 1.3 62.0 5.8 63.0 11.5 64.0 4.8 65.0 22.9 66.0 11.7 67.0 15.8 68.0 1.9 74.0 2.9 75.0 1.9 76.0 2.1 77.0 87.9 78.0 50.0 79.0 18.3 80.0 1.2 81.0 2.2 93.0 6.3 94.0 6.3 95.0 98.8 96.0 8.3 105.0 26.3 106.0 20.9 107.0 26.0 108.0 2.1 121.0 3.8 123.0 29.3 124.0 100.0 125.0 7.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H8 O2 0.036 g : 0.5 ml DMSO-d6 3-hydroxybenzyl alcohol 
Assign. Shift(ppm)
A 9.28 B 7.097 C 6.759 D 6.717 E 6.620 F 5.11 G 4.419
Hz ppm Int.3710.63 9.285 811 2844.54 7.118 447 2841.34 7.110 46 2840.58 7.108 48 2836.76 7.099 825 2832.64 7.088 43 2828.98 7.079 526 2701.11 6.759 628 2699.43 6.755 543 2688.60 6.728 494 2687.99 6.726 468 2681.12 6.709 427 2680.51 6.708 425 2651.21 6.634 346 2650.76 6.633 370 2649.23 6.629 333 2648.77 6.628 328 2648.16 6.627 331 2642.67 6.613 334 2641.14 6.609 308 2640.69 6.608 298 2640.23 6.607 291 2050.63 5.132 246 2044.83 5.117 487 2039.03 5.103 257 1768.65 4.426 1000 1763.15 4.412 936
in DMSO-d6
KBr disc
nujol mull
