alpha-Methylcinnamic acid(1199-77-5) MS
Product Namealpha-Methylcinnamic acid
CAS1199-77-5
Molecular FormulaC10H10O2
Molecular Weight162.19
InChIInChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
InChIKey XNCRUNXWPDJHGV-UHFFFAOYSA-N
SmilesC(O)(=O)C(C)=CC1=CC=CC=C1
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MassMS-NW-6685 alpha-methylcinnamic acid C10H10O2 (Mass of molecular ion: 162)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 1.0 26.0 1.0 27.0 4.7 28.0 1.9 37.0 1.1 38.0 3.0 39.0 20.3 40.0 1.8 41.0 2.3 43.0 3.7 45.0 4.3 50.0 7.7 51.0 16.4 52.0 3.1 53.0 1.2 55.0 2.2 56.0 5.1 57.0 2.1 57.5 7.1 58.0 3.8 61.0 1.5 62.0 4.7 63.0 12.2 64.0 2.2 65.0 11.1 66.0 1.3 74.0 3.0 75.0 3.3 76.0 2.6 77.0 9.4 78.0 5.8 79.0 9.2 85.0 1.7 86.0 1.5 87.0 1.8 88.0 1.0 89.0 8.2 90.0 1.8 91.0 31.2 92.0 3.0 94.0 1.0 102.0 3.6 103.0 2.3 105.0 4.9 107.0 8.9 114.0 1.6 115.0 63.7 116.0 79.0 117.0 59.6 118.0 6.1 119.0 2.0 133.0 3.2 134.0 1.7 143.0 2.3 144.0 4.4 145.0 4.2 147.0 3.6 161.0 34.5 162.0 100.0 163.0 9.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H10 O2 0.042 g : 0.5 ml CDCl3 alpha-methylcinnamic acid 
Assign. Shift(ppm)
A 12.30 B 7.840 C 7.57 to 7.23 D 2.147 J(B,D)=-1.5HZ.
Hz ppm Int.1101.70 12.302 51 704.36 7.865 57 702.99 7.850 177 701.54 7.834 181 700.09 7.817 68 677.01 7.560 30 669.24 7.473 79 665.48 7.431 140 662.57 7.399 871 659.58 7.365 199 657.53 7.342 72 655.91 7.324 40 654.88 7.313 38 654.20 7.305 42 652.75 7.289 24 648.22 7.238 26 193.03 2.156 980 191.58 2.140 1000
in CDCl3
KBr disc
nujol mull
