4-METHYLHIPPURIC ACID(27115-50-0) 1H NMR
Product Name4-METHYLHIPPURIC ACID
CAS27115-50-0
Molecular FormulaC10H11NO3
Molecular Weight193.2
InChIInChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChIKey NRSCPTLHWVWLLH-UHFFFAOYSA-N
SmilesC(O)(=O)CNC(=O)C1=CC=C(C)C=C1
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MassMS-NW-2098 p-methylhippuric acid C10H11NO3 (Mass of molecular ion: 193)
Source Temperature: 210 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 2.4 28.0 1.4 39.0 4.6 41.0 1.5 44.0 1.3 50.0 1.2 51.0 2.0 62.0 1.0 63.0 3.3 64.0 1.1 65.0 12.3 89.0 3.6 90.0 3.1 91.0 34.1 92.0 2.9 118.0 1.2 119.0 100.0 120.0 9.2 131.0 1.6 148.0 13.2 149.0 30.6 150.0 3.1 175.0 4.4 193.0 1.9
KBr disc
nujol mull
4880 A,200 M,powder
