Product Name1-Phenyl-1,2-ethanediol
CAS93-56-1
Molecular FormulaC8H10O2
Molecular Weight138.16
InChIInChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKey PWMWNFMRSKOCEY-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1)(O)CO
Mass
MS-IW-5630 1-phenyl-1,2-ethanediol C8H10O2 (Mass of molecular ion: 138)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.3 27.0 1.5 29.0 1.9 31.0 1.6 39.0 4.1 50.0 3.2 51.0 8.9 52.0 2.1 53.0 1.5 63.0 2.5 65.0 5.4 74.0 1.1 77.0 32.8 78.0 5.1 79.0 55.4 80.0 3.8 89.0 2.2 90.0 1.4 91.0 27.7 92.0 6.2 103.0 1.3 104.0 1.3 105.0 9.5 106.0 1.6 107.0 100.0 108.0 8.7 120.0 6.1 121.0 1.6 122.0 1.8 138.0 5.3
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C8 H10 O2 | 0.043 g : 0.5 ml CDCl3 |
1-phenyl-1,2-ethanediol |
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Assign. Shift(ppm) |
Hz ppm Int.
651.81 7.278 1000 429.06 4.791 39 424.38 4.739 34 421.81 4.710 47 417.19 4.659 49 330.00 3.685 385 325.94 3.640 167 321.94 3.595 74 318.44 3.556 90
in CDCl3
KBr disc
1-Phenyl-1,2-ethanediol(93-56-1) Raman Atlas of Related Products