Benzoyl-DL-leucine(17966-67-5) IR2
Product NameBenzoyl-DL-leucine
CAS17966-67-5
Molecular FormulaC13H17NO3
Molecular Weight235.28
InChIInChI=1S/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m0/s1
InChIKey POLGZPYHEPOBFG-NSHDSACASA-N
SmilesC(O)(=O)[C@H](CC(C)C)NC(=O)C1=CC=CC=C1
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MassMS-NW-2379 N-benzoyl-DL-leucine C13H17NO3 (Mass of molecular ion: 235)
Source Temperature: 240 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 3.7 27.0 2.6 28.0 1.1 29.0 2.0 39.0 1.9 41.0 3.7 43.0 1.6 50.0 1.9 51.0 6.8 57.0 1.7 70.0 1.2 76.0 1.8 77.0 28.8 78.0 2.3 103.0 1.2 104.0 3.2 105.0 100.0 106.0 9.2 112.0 1.8 121.0 1.5 122.0 2.6 130.0 3.5 133.0 1.7 147.0 10.9 148.0 3.1 161.0 14.1 162.0 1.5 174.0 6.2 179.0 15.1 180.0 1.6 190.0 5.4 191.0 1.5 217.0 5.1
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
