Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride(1454-53-1) IR2
Molecular FormulaC15H20ClNO3
Molecular Weight297.78
InChIInChI=1S/C15H19NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H
InChIKey YPFMNHZRNXPYBG-UHFFFAOYSA-N
SmilesN1(CCC(=O)C(C(=O)OCC)C1)CC1C=CC=CC=1.Cl
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MassMS-KW-0826 (3E)-1-benzyl-3-(ethoxy(hydroxy)methylene)piperidin-4-one hydrochloride hydrate C15H19NO3 HCl H2O (Mass of molecular ion: 261)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 2.9 27.0 2.8 28.0 2.2 29.0 2.8 35.0 1.8 36.0 20.9 38.0 6.8 39.0 2.4 41.0 2.5 42.0 5.0 43.0 1.4 51.0 1.3 54.0 1.3 55.0 5.1 56.0 1.6 63.0 1.0 65.0 8.7 68.0 1.1 69.0 2.0 70.0 1.9 77.0 1.0 82.0 1.0 84.0 1.2 89.0 1.6 90.0 1.3 91.0 100.0 92.0 14.0 96.0 3.4 97.0 1.8 98.0 2.3 99.0 1.0 104.0 1.5 114.0 1.6 118.0 2.8 120.0 4.0 124.0 18.4 125.0 1.3 128.0 1.3 132.0 2.0 133.0 2.8 138.0 2.6 142.0 1.2 146.0 1.4 170.0 6.6 184.0 1.7 187.0 1.1 188.0 32.0 189.0 4.6 214.0 50.2 215.0 8.3 216.0 7.5 217.0 1.1 232.0 7.6 233.0 1.2 260.0 5.9 261.0 17.9 262.0 3.1
in DMSO-d6
in DMSO-d6
KBr disk
Nujol
