H-ALA-ALA-ALA-ALA-OH(926-79-4) 13C NMR
Product NameH-ALA-ALA-ALA-ALA-OH
CAS926-79-4
Molecular FormulaC12H22N4O5
Molecular Weight302.33
InChIInChI=1S/C12H22N4O5/c1-5(13)9(17)14-6(2)10(18)15-7(3)11(19)16-8(4)12(20)21/h5-8H,13H2,1-4H3,(H,14,17)(H,15,18)(H,16,19)(H,20,21)/t5-,6-,7-,8-/m0/s1
InChIKey ZHRZLXZJVUFLNY-XAMCCFCMSA-N
SmilesC(O)(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N
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MassMS-NW-9114 L-alanyl-L-alanyl-L-alanyl-L-alanine C12H22N4O5 (Mass of molecular ion: 302)
Source Temperature: 230 °C Sample Temperature: 260 °C Direct, 75 eV
17.0 1.9 18.0 11.5 27.0 1.5 28.0 5.0 29.0 1.1 41.0 1.3 42.0 3.6 43.0 2.7 44.0 100.0 45.0 3.2 55.0 2.0 56.0 2.6 57.0 1.3 58.0 3.9 70.0 2.7 71.0 3.0 72.0 1.4 87.0 2.2 89.0 1.1 90.0 4.2 99.0 7.5 100.0 1.6 113.0 1.1 115.0 9.8 116.0 1.8 127.0 8.5 141.0 1.4 143.0 12.5 144.0 1.1 145.0 1.6 169.0 2.2 186.0 1.1 187.0 1.0 188.0 1.1 216.0 10.8 217.0 1.2 231.0 1.0
in D2O
KBr disc
nujol mull
