DL-Aspartic acid(617-45-8) IR2
Product NameDL-Aspartic acid
CAS617-45-8
Molecular FormulaC4H7NO4
Molecular Weight133.1
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey CKLJMWTZIZZHCS-REOHCLBHSA-N
SmilesC(O)(=O)[C@H](CC(O)=O)N
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MassMS-NW-0479 DL-aspartic acid C4H7NO4 (Mass of molecular ion: 133)
Source Temperature: 230 °C Sample Temperature: 180 °C Direct, 75 eV
14.0 1.0 15.0 5.3 17.0 4.4 18.0 24.6 19.0 1.2 26.0 2.1 27.0 6.0 28.0 43.0 29.0 2.6 30.0 7.6 39.0 1.1 40.0 3.8 41.0 8.9 42.0 23.9 43.0 52.6 44.0 16.8 45.0 11.3 46.0 21.2 53.0 1.0 55.0 1.9 60.0 4.6 68.0 1.0 69.0 1.5 70.0 62.0 71.0 3.2 73.0 1.0 74.0 13.0 87.0 7.8 88.0 100.0 89.0 4.5 115.0 1.5
in D2O
KBr disc
nujol mull
