Product NameCycloleucine
CAS52-52-8
Molecular FormulaC6H11NO2
Molecular Weight129.16
InChIInChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)
InChIKey NILQLFBWTXNUOE-UHFFFAOYSA-N
SmilesC1(N)(C(O)=O)CCCC1
Mass
MS-NW-9342 1-amino-1-cyclopentanecarboxylic acid C6H11NO2 H2O (Mass of molecular ion: 129)
Source Temperature: 240 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 1.9 17.0 1.5 18.0 12.0 27.0 4.2 28.0 12.3 29.0 3.5 30.0 9.6 39.0 5.6 40.0 1.5 41.0 13.4 42.0 12.5 43.0 2.4 44.0 1.6 45.0 1.0 53.0 1.2 54.0 12.0 55.0 9.5 56.0 6.1 57.0 3.1 65.0 1.7 67.0 19.2 68.0 1.7 82.0 3.5 83.0 2.7 84.0 100.0 85.0 6.1 87.0 3.3 100.0 8.6
400 MHz in D2O
1H NMR | 399.65 MHz |
C6 H11 N O2 | 0.037 g : 0.5 ml D2O |
1-amino-1-cyclopentanecarboxylic acid |
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Assign. Shift(ppm) |
Hz ppm Int.
892.70 2.234 364 886.96 2.220 430 885.38 2.216 398 879.52 2.201 389 878.05 2.198 339 876.34 2.193 275 758.91 1.899 571 757.45 1.896 540 754.39 1.888 831 751.71 1.881 569 748.17 1.873 821 743.29 1.860 1000 741.21 1.855 811 736.57 1.844 531 734.13 1.837 442 731.32 1.830 407 728.76 1.824 450 723.75 1.811 403
in D2O
KBr disc
nujol mull
Cycloleucine(52-52-8) Raman Atlas of Related Products
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