2,6-DIAMINOPIMELIC ACID(583-93-7) IR2
Product Name2,6-DIAMINOPIMELIC ACID
CAS583-93-7
Molecular FormulaC7H14N2O4
Molecular Weight190.2
InChIInChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
InChIKey GMKMEZVLHJARHF-UHFFFAOYSA-N
SmilesC(O)(=O)C(N)CCCC(N)C(O)=O
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MassMS-NW-2014 2,6-diaminopimelic acid C7H14N2O4 (H2O) (Mass of molecular ion: 190)
Source Temperature: 210 °C Sample Temperature: 240 °C Direct, 75 eV
20.0 2.0 22.0 1.9 25.0 1.2 26.0 6.6 27.0 23.9 28.0 38.9 29.0 10.7 30.0 18.6 36.0 2.2 37.0 1.6 38.0 3.4 39.0 18.8 40.0 5.9 41.0 29.3 42.0 13.7 43.0 24.5 44.0 100.0 45.0 3.5 46.0 1.3 50.0 3.8 51.0 7.6 52.0 9.3 53.0 11.4 54.0 27.7 55.0 40.5 56.0 74.2 57.0 14.5 58.0 2.0 59.0 1.2 62.0 1.0 63.0 1.7 64.0 1.3 65.0 3.6 66.0 4.4 67.0 9.3 68.0 14.1 69.0 12.0 70.0 13.2 71.0 7.9 72.0 6.4 73.0 2.3 74.0 3.4 75.0 1.6 76.0 1.0 77.0 1.8 78.0 4.1 79.0 9.0 80.0 13.2 81.0 11.0 82.0 45.1 83.0 32.5 84.0 13.6 85.0 1.5 86.0 1.0 89.0 1.1 90.0 1.4 91.0 4.1 92.0 2.4 93.0 5.3 94.0 3.8 95.0 2.8 96.0 3.1 97.0 4.6 98.0 3.7 99.0 3.7 100.0 2.2 102.0 1.2 103.0 2.1 104.0 2.1 105.0 1.5 106.0 1.6 107.0 2.2 108.0 3.7 109.0 7.4 110.0 5.0 111.0 9.5 112.0 1.7 115.0 1.4 116.0 1.3 118.0 2.1 119.0 1.0 121.0 1.2 122.0 1.5 123.0 1.6 124.0 1.3 125.0 1.1 126.0 5.3 127.0 12.4 128.0 18.3 129.0 5.1 133.0 1.1 134.0 1.0 136.0 2.0 137.0 1.2 143.0 2.5 144.0 1.5 145.0 1.8 148.0 1.6 149.0 1.0 150.0 1.1 151.0 1.7 154.0 8.5 155.0 1.3 164.0 1.2 167.0 2.4 172.0 3.7 182.0 1.3
400 MHz in D2O
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1H NMR 399.65 MHz C7 H14 N2 O4 saturated in D2O 2,6-diaminopimelic acid 
Assign. Shift(ppm)
A 3.786 A 3.751 B 1.92 C 1.52 C 1.48 THE SOLVENT PEAK SUPPRESSED. MIXTURE OF OPTICAL ISOMERS.
Hz ppm Int.1519.04 3.801 383 1513.06 3.786 832 1507.08 3.771 486 1506.10 3.769 496 1500.24 3.754 421 1499.27 3.752 544 1493.65 3.738 365 781.25 1.955 339 780.88 1.954 340 777.83 1.947 317 772.71 1.934 639 771.36 1.931 1000 767.09 1.920 607 764.65 1.914 734 761.72 1.906 315 760.74 1.904 292 758.30 1.898 498 754.52 1.888 207 753.17 1.885 200 597.41 1.495 192 595.70 1.491 227 595.34 1.490 216 594.12 1.487 164 593.63 1.486 163 589.72 1.476 340 585.08 1.464 176 584.72 1.464 177 584.23 1.462 177 583.62 1.461 179 582.64 1.458 169 582.28 1.457 169 581.79 1.456 168 580.69 1.453 166 579.83 1.451 163
in D2O
KBr disc
nujol mull
