Oxolinic acid(14698-29-4) 1H NMR
Product NameOxolinic acid
CAS14698-29-4
Molecular FormulaC13H11NO5
Molecular Weight261.23
InChIInChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)
InChIKey KYGZCKSPAKDVKC-UHFFFAOYSA-N
SmilesN1(CC)C2C(=CC3OCOC=3C=2)C(=O)C(C(O)=O)=C1
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MassMS2001-00778WA starner C13H11NO5 (Mass of molecular ion: 261)
Source Temperature: 200 °C Sample Temperature: 30 °C Direct, 70 eV
27.0 1.3 29.0 1.8 50.0 1.9 51.0 1.6 52.0 1.2 53.0 3.3 62.0 2.0 63.0 2.3 65.0 1.1 74.0 1.4 75.0 3.2 76.0 3.1 77.0 2.2 78.0 1.1 89.0 1.4 90.0 1.1 101.0 2.1 102.0 2.4 103.0 3.2 104.0 2.0 105.0 1.0 108.0 1.1 108.5 2.3 116.0 2.3 118.0 1.0 120.0 3.5 130.0 2.5 131.0 2.1 132.0 1.2 133.0 5.2 148.0 1.4 158.0 1.5 159.0 1.6 160.0 3.9 161.0 2.8 172.0 1.6 174.0 8.8 175.0 1.2 176.0 1.5 186.0 1.7 187.0 1.7 188.0 4.6 189.0 7.9 190.0 1.4 202.0 32.2 203.0 4.1 204.0 1.6 214.0 1.6 215.0 2.0 216.0 5.0 217.0 100.0 218.0 13.2 219.0 1.4 242.0 1.0 244.0 1.3 261.0 25.3 262.0 3.7
KBr disk
Nujol
