Phenaceturic acid(500-98-1) MS
Product NamePhenaceturic acid
CAS500-98-1
Molecular FormulaC10H11NO3
Molecular Weight193.2
InChIInChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChIKey UTYVDVLMYQPLQB-UHFFFAOYSA-N
SmilesC(O)(=O)CNC(CC1=CC=CC=C1)=O
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MassMS-NW-0740 N-(phenylacetyl)glycine C10H11NO3 (Mass of molecular ion: 193)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 1.4 28.0 4.2 29.0 1.2 30.0 15.7 31.0 1.3 38.0 1.2 39.0 8.7 41.0 2.4 44.0 1.2 45.0 1.4 50.0 1.8 51.0 4.2 52.0 1.3 56.0 12.4 62.0 1.7 63.0 5.4 64.0 1.9 65.0 17.4 66.0 1.1 74.0 22.7 75.0 1.1 77.0 1.0 84.0 1.2 89.0 5.4 90.0 5.4 91.0 81.2 92.0 100.0 93.0 7.5 102.0 2.5 118.0 15.2 119.0 2.0 148.0 1.1 149.0 8.1 193.0 15.6 194.0 1.9
KBr disc
nujol mull
4880 A,200 M,powder
