Product NameDL-CITRULLINE
CAS627-77-0
Molecular FormulaC6H13N3O3
Molecular Weight175.19
InChIInChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
InChIKey RHGKLRLOHDJJDR-BYPYZUCNSA-N
SmilesC(O)(=O)[C@H](CCCNC(N)=O)N
Mass
MS-NW-1922 DL-2-amino-5-ureidovaleric acid C6H13N3O3 (Mass of molecular ion: 175)
Source Temperature: 220 °C Sample Temperature: 250 °C Direct, 75 eV
12.0 1.1 14.0 1.0 15.0 4.7 16.0 9.8 17.0 13.8 18.0 26.2 26.0 4.1 27.0 12.6 28.0 46.0 29.0 11.5 30.0 57.1 31.0 2.8 32.0 1.5 37.0 1.2 38.0 2.9 39.0 12.9 40.0 5.8 41.0 33.9 42.0 23.2 43.0 66.4 44.0 39.7 45.0 2.5 51.0 1.7 52.0 3.1 53.0 3.0 54.0 8.6 55.0 7.4 56.0 63.9 57.0 15.3 58.0 31.4 59.0 2.0 66.0 1.6 67.0 3.8 68.0 14.2 69.0 100.0 70.0 38.7 71.0 2.7 74.0 1.7 75.0 2.8 80.0 1.2 81.0 1.0 82.0 3.0 83.0 3.0 84.0 2.9 85.0 7.1 86.0 6.2 87.0 2.1 93.0 1.0 94.0 1.4 95.0 2.5 96.0 2.8 97.0 8.1 98.0 1.7 99.0 1.3 101.0 1.4 103.0 1.1 110.0 1.7 111.0 2.9 112.0 5.1 113.0 5.4 114.0 5.8 115.0 1.2 135.0 1.6 136.0 1.3 137.0 1.6 138.0 2.0 139.0 1.9 140.0 3.8 164.0 1.3 176.0 1.1 190.0 1.3 197.0 1.1
KBr disc
nujol mull
DL-CITRULLINE(627-77-0) IR2 Atlas of Related Products
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