5-AMINOOROTIC ACID(7164-43-4) Raman
Product Name5-AMINOOROTIC ACID
CAS7164-43-4
Molecular FormulaC5H5N3O4
Molecular Weight171.11
InChIInChI=1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)
InChIKey HWCXJKLFOSBVLH-UHFFFAOYSA-N
SmilesC1(=O)NC(=O)C(N)=C(C(O)=O)N1
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MassMS-NW-7061 5-amino-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid C5H5N3O4 (Mass of molecular ion: 171)
Source Temperature: 170 °C Sample Temperature: 200 °C Direct, 75 eV
16.0 1.5 17.0 3.0 18.0 8.1 27.0 8.8 28.0 84.0 29.0 11.4 38.0 1.1 39.0 1.4 40.0 2.1 41.0 2.2 42.0 1.6 43.0 3.9 44.0 17.9 45.0 24.1 46.0 1.6 53.0 9.9 54.0 31.5 55.0 14.1 56.0 19.5 57.0 2.1 67.0 1.4 68.0 2.2 69.0 1.0 70.0 4.5 71.0 3.2 72.0 13.0 73.0 8.4 82.0 18.7 83.0 2.2 84.0 2.7 97.0 1.7 99.0 2.5 100.0 15.1 110.0 1.6 125.0 8.5 126.0 2.9 127.0 24.2 128.0 1.9 153.0 22.3 154.0 2.3 171.0 100.0 172.0 7.0 173.0 1.3
in DMSO-d6
KBr disc
nujol mull
