N-ACETYL-S-BENZYL-D-CYSTEINE(161512-71-6) IR2
Product NameN-ACETYL-S-BENZYL-D-CYSTEINE
CAS161512-71-6
Molecular FormulaC12H15NO3S
Molecular Weight253.32
InChIInChI=1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m1/s1
InChIKey BJUXDERNWYKSIQ-LLVKDONJSA-N
SmilesC(O)(=O)[C@@H](CSCC1=CC=CC=C1)NC(C)=O
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MassMS-NW-1958 N-acetyl-S-benzyl-D-cysteine C12H15NO3S (Mass of molecular ion: 253)
Source Temperature: 200 °C Sample Temperature: 200 °C Direct, 75 eV
15.0 2.6 18.0 1.4 28.0 1.6 39.0 3.1 41.0 3.3 42.0 4.2 43.0 25.0 44.0 4.8 45.0 4.9 51.0 1.9 60.0 6.6 63.0 1.8 65.0 8.2 74.0 4.2 77.0 1.4 84.0 1.0 85.0 1.5 86.0 6.0 87.0 4.1 89.0 1.9 91.0 100.0 92.0 8.6 102.0 2.4 103.0 1.0 111.0 1.4 120.0 3.1 121.0 1.7 122.0 2.0 123.0 1.7 124.0 6.0 129.0 1.2 130.0 1.4 131.0 1.2 137.0 3.4 144.0 1.0 148.0 1.0 161.0 3.9 162.0 8.9 176.0 2.9 194.0 17.9 195.0 2.1 253.0 3.2
KBr disc
nujol mull
