N-EPSILON-FORMYL-L-LYSINE(1190-48-3) IR2
Product NameN-EPSILON-FORMYL-L-LYSINE
CAS1190-48-3
Molecular FormulaC7H14N2O3
Molecular Weight174.2
InChIInChI=1S/C7H14N2O3/c8-6(7(11)12)3-1-2-4-9-5-10/h5-6H,1-4,8H2,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKey KLPJXDPPMSJWKI-LURJTMIESA-N
SmilesC(O)(=O)[C@H](CCCCNC=O)N
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MassMS-NW-2477 N(epsilon)-formyl-L-lysine C7H14N2O3 (Mass of molecular ion: 174)
Source Temperature: 240 °C Sample Temperature: 230 °C Direct, 75 eV
15.0 3.1 16.0 1.5 17.0 6.8 18.0 33.1 26.0 3.3 27.0 13.4 28.0 37.8 29.0 9.0 30.0 65.5 31.0 1.2 38.0 1.2 39.0 9.1 40.0 2.8 41.0 20.8 42.0 17.3 43.0 27.8 44.0 11.4 45.0 2.6 46.0 9.3 50.0 1.1 51.0 1.7 52.0 2.7 53.0 3.9 54.0 10.1 55.0 15.9 56.0 49.8 57.0 9.9 58.0 19.6 59.0 8.4 60.0 1.1 65.0 1.4 66.0 2.3 67.0 8.7 68.0 4.7 69.0 5.7 70.0 13.2 71.0 4.8 72.0 14.1 73.0 8.9 74.0 11.2 75.0 2.7 79.0 1.7 80.0 2.5 81.0 2.2 82.0 12.7 83.0 15.4 84.0 58.7 85.0 4.2 86.0 3.0 87.0 1.2 89.0 1.9 93.0 2.4 94.0 1.7 95.0 1.2 97.0 1.2 98.0 2.0 99.0 4.5 100.0 12.4 101.0 5.0 103.0 1.0 109.0 1.9 110.0 2.8 111.0 6.3 112.0 100.0 113.0 8.1 127.0 2.2 128.0 6.8 129.0 3.8 138.0 1.8 156.0 1.7
400 MHz in D2O
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1H NMR 399.65 MHz C7 H14 N2 O3 0.042 g : 0.5 ml D2O N(epsilon)-formyl-L-lysine 
Assign. Shift(ppm)
A 8.040 B 3.745 C 3.257 D 1.89 E 1.589 F 1.424
Hz ppm Int.3213.26 8.041 1000 1502.81 3.761 373 1497.07 3.746 501 1496.34 3.745 588 1490.60 3.730 393 1308.59 3.275 467 1301.76 3.258 902 1294.80 3.240 467 768.31 1.923 170 761.96 1.907 357 755.86 1.892 345 751.71 1.881 441 749.51 1.876 214 745.85 1.867 395 739.01 1.850 185 731.45 1.831 72 651.12 1.630 101 650.27 1.628 102 642.94 1.609 385 635.74 1.591 670 628.66 1.574 595 621.70 1.556 223 589.11 1.475 123 585.69 1.466 84 581.91 1.457 194 579.35 1.450 188 575.44 1.440 197 572.63 1.433 340 568.60 1.423 188 565.43 1.415 268 563.96 1.412 214 559.81 1.401 146 557.98 1.397 140 556.88 1.394 138 556.15 1.392 140 553.59 1.386 118 550.66 1.378 76 547.24 1.370 83
KBr disc
nujol mull
4880 A,200 M,powder
