4'-Hydroxy-3'-methylacetophenone(876-02-8) Raman
Product Name4'-Hydroxy-3'-methylacetophenone
CAS876-02-8
Molecular FormulaC9H10O2
Molecular Weight150.17
InChIInChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3
InChIKey LXBHHIZIQVZGFN-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(O)C(C)=C1)C
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MassMS-NW-6576 4'-hydroxy-3'-methylacetophenone C9H10O2 (Mass of molecular ion: 150)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.6 18.0 3.6 27.0 2.8 28.0 1.9 38.0 1.5 39.0 6.1 43.0 8.9 44.0 1.7 44.5 1.0 50.0 3.2 51.0 6.5 52.0 3.4 53.0 4.5 55.0 1.3 62.0 1.5 63.0 2.9 65.0 1.2 67.0 1.6 74.0 1.3 77.0 18.6 78.0 4.7 79.0 10.9 91.0 1.6 105.0 1.2 106.0 2.2 107.0 20.5 108.0 3.2 121.0 1.4 131.0 1.3 132.0 3.2 134.0 1.1 135.0 100.0 136.0 9.6 137.0 1.0 149.0 1.1 150.0 42.0 151.0 4.4
90 MHz in CDCl3
400 MHz in DMSO-d6
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1H NMR 89.56 MHz C9 H10 O2 0.041 g : 0.5 ml CDCl3 4'-hydroxy-3'-methylacetophenone 
Assign. Shift(ppm)
A 7.80 B 7.74 C 7.38 D 6.90 E 2.575 F 2.303
Hz ppm Int.698.55 7.800 133 698.03 7.794 160 690.60 7.712 51 690.17 7.707 51 688.38 7.687 35 687.78 7.680 33 660.18 7.372 44 621.64 6.942 62 621.22 6.937 62 613.35 6.849 55 230.63 2.576 1000 227.98 2.546 23 206.27 2.304 418
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1H NMR 399.65 MHz C9 H10 O2 0.038 g : 0.5 ml DMSO-d6 4'-hydroxy-3'-methylacetophenone Assign. Shift(ppm)
A 10.3 B 7.735 C 7.686 D 6.880 E 2.473 F 2.179 J(B,C)=2.0HZ J(C,D)=8.4HZ 90MHZ:HSP-03-331 IN CDCL3
Hz ppm Int.4112.39 10.290 51 3092.19 7.738 126 3090.67 7.734 149 3090.21 7.733 149 3077.39 7.701 88 3075.10 7.695 73 3069.00 7.680 89 3066.71 7.674 80 2754.06 6.892 163 2745.67 6.871 157 988.46 2.474 1000 870.97 2.180 686
in CDCl3
in DMSO-d6
KBr disc
nujol mull
