N-(2,6-Dimethylphenylcarbamoylmethyl)iminodiacetic acid(59160-29-1) MS
Molecular FormulaC14H18N2O5
Molecular Weight294.3
InChIInChI=1S/C14H18N2O5/c1-9-4-3-5-10(2)14(9)15-11(17)6-16(7-12(18)19)8-13(20)21/h3-5H,6-8H2,1-2H3,(H,15,17)(H,18,19)(H,20,21)
InChIKey DJQJFMSHHYAZJD-UHFFFAOYSA-N
SmilesC(O)(=O)CN(CC(O)=O)CC(NC1=C(C)C=CC=C1C)=O
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MassMS-NW-7049 N-(2,6-dimethylphenylcarbamoylmethyl)iminodiacetic acid C14H18N2O5 (Mass of molecular ion: 294)
Source Temperature: 260 °C Sample Temperature: 180 °C Direct, 75 eV
15.0 3.7 27.0 3.6 28.0 5.8 29.0 1.4 30.0 4.2 31.0 4.5 39.0 5.6 40.0 1.8 41.0 6.7 42.0 70.0 43.0 6.2 44.0 5.5 45.0 1.7 50.0 1.2 51.0 4.3 52.0 2.7 53.0 3.4 54.0 1.7 55.0 1.0 56.0 5.8 57.0 11.9 58.0 21.5 59.0 1.5 60.0 11.4 63.0 2.8 64.0 1.3 65.0 5.8 66.0 1.4 70.0 1.2 72.0 1.0 74.0 3.3 77.0 14.2 78.0 4.7 79.0 5.9 80.0 1.4 86.0 1.2 88.0 69.3 89.0 4.5 90.0 1.6 91.0 12.4 92.0 4.1 93.0 2.8 95.5 1.1 100.0 3.6 101.0 14.3 102.0 43.1 103.0 7.2 104.0 3.8 105.0 9.0 106.0 9.3 107.0 1.6 116.0 1.8 117.0 3.7 118.0 10.6 119.0 6.6 120.0 37.6 121.0 31.0 122.0 6.0 124.5 1.0 128.0 12.8 129.0 1.2 130.0 3.2 131.0 2.4 132.0 13.9 133.0 5.1 134.0 18.2 135.0 2.0 144.0 1.6 145.0 5.0 146.0 100.0 147.0 12.9 148.0 8.7 149.0 1.1 160.0 1.9 161.0 1.4 162.0 1.6 163.0 20.3 164.0 2.5 174.0 1.0 189.0 1.6 191.0 3.3 203.0 1.6 204.0 2.4 205.0 2.1 206.0 1.3 231.0 6.2 232.0 2.0 235.0 1.0 248.0 2.2 249.0 7.2 250.0 1.5 276.0 6.9 277.0 1.2 294.0 12.8 295.0 2.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C14 H18 N2 O5 0.043 g : 0.5 ml DMSO-d6 N-(2,6-dimethylphenylcarbamoylmethyl)iminodiacetic acid 
Assign. Shift(ppm)
A 12.6 B 9.50 C 7.07 D 3.593 E 3.511 F 2.148
Hz ppm Int.5039.27 12.610 24 3798.14 9.504 122 2826.08 7.072 540 1436.39 3.595 564 1403.42 3.512 301 858.68 2.149 1000
KBr disc
nujol mull
