Product Name2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid
CAS5809-23-4
Molecular FormulaC18H19NO4
Molecular Weight313.35
InChIInChI=1S/C18H19NO4/c1-3-19(4-2)12-9-10-15(16(20)11-12)17(21)13-7-5-6-8-14(13)18(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)
InChIKey FQNKTJPBXAZUGC-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC=C1C(=O)C1=CC=C(N(CC)CC)C=C1O
Mass
MS-IW-3627 O-(4-diethylamino-2-hydroxybenzoyl)benzoic acid C18H19NO4 (Mass of molecular ion: 313)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 1.0 29.0 1.9 39.0 1.3 53.0 1.1 65.0 4.3 77.0 2.2 92.0 1.2 93.0 2.9 104.0 1.2 105.0 1.8 121.0 2.0 122.0 2.3 126.0 1.4 133.5 2.6 136.0 1.0 139.0 3.3 139.5 1.1 140.0 1.8 148.0 2.9 149.0 8.8 150.0 3.7 156.5 2.0 162.0 1.0 164.0 1.0 167.0 1.6 168.0 1.4 192.0 2.6 195.0 2.1 196.0 1.7 210.0 1.0 223.0 3.6 224.0 3.2 250.0 1.0 252.0 5.5 253.0 1.0 268.0 3.8 280.0 12.0 281.0 2.4 298.0 100.0 299.0 19.4 300.0 2.6 312.0 2.5 313.0 50.5 314.0 10.4 315.0 1.4
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C18 H19 N O4 | 0.047 g : 0.5 ml DMSO-d6 |
o-(4-diethylamino-2-hydroxybenzoyl)benzoic acid |
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Assign. Shift(ppm) |
Hz ppm Int.
5038.36 12.607 414 3195.16 7.995 136 3194.06 7.993 142 3187.46 7.976 155 3186.36 7.973 153 3080.86 7.709 57 3079.58 7.706 63 3073.35 7.691 150 3072.25 7.688 152 3066.02 7.672 112 3064.74 7.669 107 3051.55 7.636 101 3050.45 7.633 112 3044.04 7.617 144 3042.76 7.614 152 3036.53 7.598 63 3035.25 7.595 61 2955.94 7.397 154 2954.84 7.394 159 2948.43 7.378 141 2947.33 7.375 135 2726.80 6.823 236 2717.82 6.801 263 2477.14 6.199 112 2474.76 6.193 122 2467.99 6.176 105 2465.42 6.169 118 2434.83 6.093 240 2432.45 6.087 215 1368.62 3.425 31 1368.25 3.424 31 1361.11 3.406 140 1354.15 3.389 381 1347.19 3.371 383 1340.05 3.354 139 452.79 1.133 30 445.46 1.115 476 438.50 1.098 1000 431.54 1.080 446
in DMSO-d6
KBr disc
nujol mull
2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid(5809-23-4) MS Atlas of Related Products
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