Product NameALPHA-METHYLBENZYL ALCOHOL
CAS13323-81-4
Molecular FormulaC8H10O
Molecular Weight122.16
InChIInChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKey WAPNOHKVXSQRPX-UHFFFAOYSA-N
SmilesC1(C(O)C)C=CC=CC=1
Mass
MS-NW-0762 (+-)-alpha-methylbenzyl alcohol C8H10O (Mass of molecular ion: 122)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.2 27.0 2.8 38.0 1.3 39.0 4.9 43.0 17.6 45.0 3.1 50.0 6.6 51.0 16.1 52.0 4.1 53.0 2.1 53.5 7.0 62.0 1.2 63.0 2.9 65.0 1.6 74.0 2.6 75.0 1.6 76.0 1.7 77.0 38.1 78.0 19.2 79.0 76.9 80.0 5.4 91.0 2.2 102.0 1.3 103.0 6.3 104.0 9.5 105.0 8.4 106.0 1.1 107.0 100.0 108.0 7.7 121.0 6.3 122.0 35.8 123.0 3.2
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C8 H10 O | 10.5 mol% in CDCl3 |
(+-)-alpha-methylbenzyl alcohol |
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Assign. Shift(ppm) |
Hz ppm Int.
657.94 7.347 49 657.50 7.342 48 656.19 7.327 36 654.31 7.306 158 653.94 7.302 153 651.75 7.278 1000 650.50 7.264 305 648.94 7.246 191 646.75 7.222 41 643.75 7.188 30 436.88 4.879 41 430.38 4.806 127 423.88 4.733 131 417.44 4.662 45 244.56 2.731 174 129.13 1.442 822 122.63 1.370 794
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
ALPHA-METHYLBENZYL ALCOHOL(13323-81-4) IR2 Atlas of Related Products
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