3'-Hydroxyacetophenone(121-71-1) Raman
Product Name3'-Hydroxyacetophenone
CAS121-71-1
Molecular FormulaC8H8O2
Molecular Weight136.15
InChIInChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3
InChIKey LUJMEECXHPYQOF-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=CC(O)=C1)C
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MassMS-NW-1881 3'-hydroxyacetophenone C8H8O2 (Mass of molecular ion: 136)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.0 18.0 2.1 27.0 2.0 28.0 2.6 29.0 1.1 37.0 2.0 38.0 5.6 39.0 23.6 40.0 1.5 42.0 1.3 43.0 28.0 46.0 1.1 50.0 4.0 51.0 4.1 52.0 1.1 53.0 4.5 55.0 1.0 60.5 2.0 61.0 2.0 62.0 3.9 63.0 9.6 64.0 5.1 65.0 36.9 66.0 3.9 74.0 1.9 75.0 1.5 77.0 3.4 92.0 2.7 93.0 59.1 94.0 6.2 107.0 1.3 121.0 100.0 122.0 7.7 136.0 57.8 137.0 5.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H8 O2 0.045 g : 0.5 ml CDCl3 3'-hydroxyacetophenone 
Assign. Shift(ppm)
A 7.56 B 7.50 C 7.44 D 7.32 E 7.14 F 2.594
Hz ppm Int.677.31 7.563 95 676.38 7.553 78 675.13 7.539 158 674.00 7.526 72 669.94 7.481 80 668.31 7.463 142 666.69 7.445 90 664.13 7.416 33 663.13 7.405 59 662.25 7.395 49 655.31 7.317 90 654.25 7.306 55 648.50 7.241 33 647.31 7.228 49 643.38 7.184 65 641.44 7.163 80 639.25 7.138 56 232.31 2.594 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
