N-Benzylacetoacetamide(882-36-0) MS
Product NameN-Benzylacetoacetamide
CAS882-36-0
Molecular FormulaC11H13NO2
Molecular Weight191.23
InChIInChI=1S/C11H13NO2/c1-9(13)7-11(14)12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)
InChIKey KOHNUEXAOQRRPI-UHFFFAOYSA-N
SmilesC(NCC1=CC=CC=C1)(=O)CC(=O)C
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MassMS-IW-0960 N-benzylacetoacetamide C11H13NO2 (Mass of molecular ion: 191)
Source Temperature: 160 °C Sample Temperature: 110 °C Direct, 75 eV
28.0 2.6 30.0 1.8 39.0 1.1 42.0 3.4 43.0 10.3 44.0 1.1 51.0 1.6 58.0 4.9 59.0 1.1 65.0 4.4 77.0 4.0 78.0 1.8 79.0 10.2 85.0 2.3 91.0 29.3 92.0 2.6 103.0 2.7 104.0 4.2 105.0 12.9 106.0 100.0 107.0 33.2 108.0 2.3 130.0 2.7 131.0 1.1 148.0 17.8 149.0 2.3 191.0 41.8 192.0 6.2
in CDCl3
in CDCl3
KBr disc
nujol mull
