Probenecid(57-66-9) 1H NMR
Product NameProbenecid
CAS57-66-9
Molecular FormulaC13H19NO4S
Molecular Weight285.36
InChIInChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKey DBABZHXKTCFAPX-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(S(N(CCC)CCC)(=O)=O)C=C1
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MassMS-IW-1714 p-(dipropylsulfamoyl)benzoic acid C13H19NO4S (Mass of molecular ion: 285)
Source Temperature: 210 °C Sample Temperature: 150 °C Direct, 75 eV
27.0 2.2 28.0 1.0 30.0 1.7 39.0 1.8 41.0 4.4 42.0 4.7 43.0 6.2 51.0 1.0 58.0 1.2 65.0 7.9 70.0 3.5 75.0 1.0 76.0 2.5 77.0 1.0 93.0 1.2 121.0 28.8 122.0 2.4 185.0 33.5 186.0 2.9 187.0 1.9 214.0 10.0 215.0 1.0 256.0 100.0 257.0 13.6 258.0 6.0 285.0 4.8
KBr disc
nujol mull
