2-ACETYL-7-HYDROXYBENZOFURAN(40020-87-9) IR1
Product Name2-ACETYL-7-HYDROXYBENZOFURAN
CAS40020-87-9
Molecular FormulaC10H8O3
Molecular Weight176.17
InChIInChI=1S/C10H8O3/c1-6(11)9-5-7-3-2-4-8(12)10(7)13-9/h2-5,12H,1H3
InChIKey HRIVIHCUSKDPNK-UHFFFAOYSA-N
SmilesC(=O)(C1=CC2=CC=CC(O)=C2O1)C
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MassMS-IW-7341 2-acetyl-7-hydroxybenzofuran C10H8O3 (Mass of molecular ion: 176)
Source Temperature: 160 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 1.2 39.0 1.1 43.0 10.5 50.0 2.6 51.0 5.6 52.0 1.2 52.5 1.6 53.0 1.0 63.0 1.1 76.0 1.9 77.0 4.6 78.0 2.1 80.5 3.2 105.0 14.3 106.0 1.2 133.0 3.0 134.0 4.3 147.0 1.6 161.0 100.0 162.0 10.1 163.0 1.0 175.0 2.0 176.0 68.1 177.0 8.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H8 O3 0.039 g : 0.5 ml DMSO-d6 2-acetyl-7-hydroxybenzofuran 
Assign. Shift(ppm)
A 10.4 B 7.837 C 7.241 D 7.166 E 6.974 F 2.578
Hz ppm Int.4146.42 10.376 95 3132.48 7.839 439 2899.32 7.255 89 2898.25 7.252 99 2891.54 7.236 156 2890.47 7.233 153 2871.40 7.185 123 2863.77 7.166 203 2855.83 7.146 96 2791.44 6.985 130 2790.37 6.983 137 2783.66 6.966 113 2782.59 6.963 112 1030.43 2.579 1000
in DMSO-d6
KBr disc
nujol mull
