4-DIETHYLAMINOSALICYLIC ACID(23050-90-0) MS
Product Name4-DIETHYLAMINOSALICYLIC ACID
CAS23050-90-0
Molecular FormulaC11H15NO3
Molecular Weight209.24
InChIInChI=1S/C11H15NO3/c1-3-12(4-2)8-5-6-9(11(14)15)10(13)7-8/h5-7,13H,3-4H2,1-2H3,(H,14,15)
InChIKey IZYRYLLQDKRMKK-UHFFFAOYSA-N
SmilesC1(C=CC(C(=O)O)=C(O)C=1)N(CC)CC
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MassMS-NW-6486 4-(diethylamino)salicylic acid C11H15NO3 (Mass of molecular ion: 209)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
17.0 1.3 18.0 5.7 27.0 7.8 28.0 4.0 29.0 9.8 38.0 1.8 39.0 7.0 41.0 2.4 42.0 2.5 44.0 4.9 45.0 1.2 50.0 1.3 51.0 3.5 52.0 2.6 53.0 4.7 54.0 1.3 55.0 1.9 56.0 2.1 62.0 1.5 63.0 5.7 64.0 3.8 65.0 7.5 66.0 2.1 67.0 1.4 68.0 1.6 69.0 1.2 77.0 3.7 78.0 3.5 79.0 3.3 80.0 1.7 81.0 3.9 88.0 3.2 91.0 7.1 92.0 4.4 93.0 2.9 94.0 2.1 95.0 1.1 95.5 1.3 104.0 2.0 104.5 1.2 105.0 2.7 106.0 2.2 107.0 1.9 108.0 1.2 118.0 1.2 119.0 9.7 120.0 4.5 121.0 1.4 122.0 4.6 133.0 1.9 134.0 1.7 135.0 2.1 136.0 2.1 146.0 1.9 147.0 3.9 148.0 15.1 149.0 3.2 150.0 15.8 151.0 1.6 160.0 1.0 161.0 1.7 162.0 6.4 163.0 1.2 164.0 2.6 165.0 7.5 166.0 1.0 176.0 100.0 177.0 11.5 178.0 1.7 180.0 2.1 190.0 6.0 191.0 3.7 192.0 3.2 194.0 80.1 195.0 9.1 196.0 1.1 208.0 1.4 209.0 62.4 210.0 8.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H15 N O3 0.041 g : 0.5 ml CDCl3 4-(diethylamino)salicylic acid 
Assign. Shift(ppm)
A 11. B 11. C 7.701 D 6.17 E 6.13 F 3.384 G 1.196
Hz ppm Int.694.53 7.755 104 691.80 7.725 42 691.20 7.718 34 689.92 7.704 33 689.58 7.700 32 689.06 7.694 35 685.56 7.655 117 560.55 6.259 107 557.64 6.227 44 556.79 6.217 40 549.18 6.132 254 313.77 3.504 129 310.61 3.469 86 306.76 3.426 386 299.67 3.347 408 292.92 3.271 150 118.35 1.322 55 113.82 1.271 474 106.98 1.195 1000 99.80 1.115 421
in CDCl3
KBr disc
nujol mull
