ALPHA-CYANO-4-HYDROXYCINNAMIC ACID(28166-41-8) MS
Product NameALPHA-CYANO-4-HYDROXYCINNAMIC ACID
CAS28166-41-8
Molecular FormulaC10H7NO3
Molecular Weight189.17
InChIInChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)
InChIKey AFVLVVWMAFSXCK-UHFFFAOYSA-N
SmilesC(O)(=O)C(C#N)=CC1=CC=C(O)C=C1
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MassMS-NW-8063 alpha-cyano-4-hydroxycinnamic acid C10H7NO3 (Mass of molecular ion: 189)
Source Temperature: 190 °C Sample Temperature: 180 °C Direct, 75 eV
17.0 1.0 18.0 4.4 26.0 1.4 27.0 4.0 28.0 3.1 29.0 2.4 37.0 3.0 38.0 6.6 39.0 24.7 40.0 2.6 41.0 1.3 42.0 1.0 43.0 2.8 44.0 12.9 45.0 6.0 49.0 1.1 50.0 7.6 51.0 10.4 52.0 5.2 53.0 7.8 54.0 1.0 55.0 3.5 57.5 1.6 58.0 1.2 61.0 6.1 62.0 12.7 63.0 21.9 64.0 8.4 65.0 14.5 66.0 4.0 67.0 1.3 68.0 1.0 72.0 1.8 74.0 3.4 75.0 4.4 76.0 4.4 77.0 8.0 78.0 3.3 79.0 1.6 86.0 2.2 87.0 4.3 88.0 9.3 89.0 36.8 90.0 15.4 91.0 3.8 92.0 2.1 93.0 2.3 94.0 5.2 94.5 1.2 95.0 4.9 99.0 1.7 100.0 1.6 101.0 1.2 104.0 2.7 105.0 3.4 106.0 1.3 107.0 1.5 110.0 2.0 114.0 4.5 115.0 4.8 116.0 15.3 117.0 19.4 118.0 17.1 119.0 4.1 121.0 4.5 122.0 2.3 123.0 15.8 124.0 1.3 126.0 1.5 132.0 1.9 133.0 2.0 134.0 3.7 143.0 24.9 144.0 22.6 145.0 28.4 146.0 3.2 160.0 1.2 161.0 1.1 162.0 5.1 163.0 1.0 171.0 1.5 172.0 17.4 173.0 2.0 188.0 27.2 189.0 100.0 190.0 11.5 191.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H7 N O3 0.029 g : 0.5 ml DMSO-d6 alpha-cyano-4-hydroxycinnamic acid 
Assign. Shift(ppm)
A *1 13.6 B *1 10.8 C 8.208 D 7.992 E 6.969
Hz ppm Int.3280.52 8.209 1000 3198.97 8.005 807 3189.94 7.982 874 2792.72 6.988 123 2789.79 6.981 891 2782.96 6.964 304 2781.01 6.959 901
in DMSO-d6
KBr disc
nujol mull
