Acetosyringone(2478-38-8) IR2
Product NameAcetosyringone
CAS2478-38-8
Molecular FormulaC10H12O4
Molecular Weight196.2
InChIInChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3
InChIKey OJOBTAOGJIWAGB-UHFFFAOYSA-N
SmilesC(=O)(C1=CC(OC)=C(O)C(OC)=C1)C
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MassMS-NW-7985 4'-hydroxy-3',5'-dimethoxyacetophenone C10H12O4 (Mass of molecular ion: 196)
Source Temperature: 180 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 2.9 27.0 1.0 28.0 1.9 38.0 1.7 39.0 4.5 41.0 1.6 43.0 15.9 50.0 2.6 51.0 2.4 52.0 1.2 53.0 2.6 65.0 5.7 66.0 1.8 67.0 3.6 77.0 1.9 78.0 1.7 79.0 2.0 81.0 1.0 82.0 2.1 84.0 1.0 85.0 2.1 93.0 4.0 95.0 1.2 108.0 3.5 110.0 3.0 122.0 1.5 123.0 2.9 125.0 1.6 135.0 1.3 137.0 1.2 138.0 3.8 153.0 13.2 154.0 1.2 181.0 100.0 182.0 10.3 183.0 1.3 195.0 1.3 196.0 58.2 197.0 6.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H12 O4 0.037 g : 0.5 ml CDCl3 4'-hydroxy-3',5'-dimethoxyacetophenone 
Assign. Shift(ppm)
A 7.250 B 6.13 C 3.949 D 2.574
Hz ppm Int.649.38 7.251 296 548.63 6.126 63 353.75 3.950 1000 350.19 3.911 26 230.63 2.576 587
in CDCl3
KBr disc
nujol mull
