Methyl Red(493-52-7) IR2
Product NameMethyl Red
CAS493-52-7
Molecular FormulaC15H15N3O2
Molecular Weight269.3
InChIInChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)
InChIKey CEQFOVLGLXCDCX-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC=C1N=NC1=CC=C(N(C)C)C=C1
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MassMS-NW-0428 4'-(dimethylamino)azobenzene-2-carboxylic acid C15H15N3O2 (Mass of molecular ion: 269)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 1.0 18.0 1.9 28.0 1.4 38.0 1.0 39.0 5.3 41.0 1.2 42.0 17.3 43.0 1.1 44.0 1.7 50.0 2.7 51.0 4.2 52.0 1.9 53.0 1.0 63.0 3.3 64.0 2.1 65.0 8.0 66.0 1.9 68.0 1.2 69.0 1.1 76.0 3.1 77.0 14.9 78.0 6.9 79.0 9.5 80.0 1.6 90.0 3.0 91.0 6.6 92.0 4.9 93.0 5.1 94.0 1.3 103.0 1.6 104.0 8.9 105.0 15.4 106.0 2.4 111.5 1.3 118.0 4.5 119.0 7.7 120.0 100.0 121.0 11.3 122.0 1.0 126.5 1.1 133.0 1.6 134.0 1.1 134.5 1.3 135.0 1.4 136.0 1.6 146.0 1.2 148.0 26.2 149.0 2.8 152.0 1.8 153.0 1.3 169.0 1.3 180.0 1.5 181.0 6.0 182.0 1.2 184.0 1.1 197.0 1.1 208.0 2.4 209.0 1.1 210.0 2.7 224.0 8.6 225.0 6.5 226.0 1.0 238.0 1.2 239.0 2.2 251.0 1.1 252.0 3.3 253.0 15.2 254.0 2.9 265.0 1.2 268.0 1.1 269.0 53.1 270.0 9.3 271.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H15 N3 O2 0.034 g : 0.5 ml CDCl3 4'-(dimethylamino)azobenzene-2-carboxylic acid 
Assign. Shift(ppm)
A 14.4 B 8.341 C 7.967 D 7.729 E 7.604 F 7.488 G 6.691 J 3.111
Hz ppm Int.3338.39 8.354 41 3337.10 8.351 42 3330.48 8.334 44 3329.20 8.331 44 3188.81 7.980 41 3187.95 7.977 43 3180.69 7.959 47 3179.62 7.957 47 3093.72 7.742 122 3091.58 7.736 35 3086.45 7.723 38 3084.53 7.719 126 3040.72 7.609 36 3039.01 7.605 40 3032.39 7.588 31 3030.90 7.584 30 3000.77 7.509 32 2999.48 7.506 34 2992.86 7.489 42 2992.22 7.488 39 2991.58 7.486 38 2678.74 6.703 118 2676.61 6.698 34 2671.48 6.685 34 2669.34 6.680 113 1243.43 3.112 1000
in CDCl3
KBr disk
nujol mull
