N-FORMYL-DL-LEUCINE(5338-45-4) 13C NMR
Product NameN-FORMYL-DL-LEUCINE
CAS5338-45-4
Molecular FormulaC7H13NO3
Molecular Weight159.18
InChIInChI=1S/C7H13NO3/c1-5(2)3-6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKey HFBHOAHFRNLZGN-LURJTMIESA-N
SmilesC(O)(=O)[C@H](CC(C)C)NC=O
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MassMS-NW-2489 N-formyl-DL-leucine C7H13NO3 (Mass of molecular ion: 159)
Source Temperature: 200 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 3.7 17.0 2.1 18.0 10.5 19.0 1.2 26.0 1.3 27.0 18.6 28.0 36.0 29.0 18.9 30.0 25.1 38.0 1.1 39.0 12.1 40.0 2.1 41.0 37.7 42.0 14.2 43.0 39.6 44.0 56.4 45.0 3.5 46.0 57.4 47.0 1.1 53.0 2.8 54.0 2.0 55.0 4.2 56.0 3.4 57.0 13.7 58.0 20.7 59.0 4.5 67.0 1.9 68.0 2.7 69.0 53.0 70.0 11.7 71.0 9.5 72.0 52.6 73.0 5.1 74.0 12.9 75.0 2.3 81.0 2.0 84.0 1.6 85.0 60.1 86.0 18.1 87.0 1.4 88.0 1.7 95.0 1.0 96.0 2.6 98.0 10.9 99.0 4.9 102.0 4.6 103.0 47.0 104.0 1.9 113.0 2.4 114.0 100.0 115.0 10.1 116.0 4.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H13 N O3 0.038 g : 0.5 ml DMSO-d6 N-formyl-DL-leucine 
Assign. Shift(ppm)
A 13. B 8.36 C 8.041 D 4.295 E 1.623 F 1.517 G *1 0.895 J *1 0.854 J(B,D)=7.9HZ
Hz ppm Int.3343.73 8.367 132 3335.82 8.347 133 3213.81 8.042 413 1728.28 4.325 69 1720.58 4.306 174 1712.89 4.286 174 1705.20 4.267 69 662.63 1.659 47 655.80 1.641 90 648.96 1.624 122 642.12 1.607 116 635.71 1.591 76 629.09 1.575 36 619.04 1.549 54 613.06 1.534 350 605.58 1.516 452 598.53 1.498 228 361.13 0.904 1000 354.50 0.888 965 344.67 0.863 951 338.05 0.846 905
in DMSO-d6
KBr disc
4880 A,200 M,powder
