2,2,6,6-TETRAMETHYL-4-PIPERIDONE MONOHYDRATE(10581-38-1) MS
Product Name2,2,6,6-TETRAMETHYL-4-PIPERIDONE MONOHYDRATE
CAS10581-38-1
Molecular FormulaC9H19NO2
Molecular Weight173.25
InChIInChI=1S/C9H17NO.H2O/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H2
InChIKey SFDODBGIDPNFEH-UHFFFAOYSA-N
SmilesN1C(C)(C)CC(=O)CC1(C)C.O
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MassMS-IW-1567 2,2,6,6-tetramethyl-4-piperidone C9H17NO H2O (Mass of molecular ion: 155)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 3.5 27.0 6.1 28.0 5.7 29.0 9.0 30.0 2.6 39.0 10.8 40.0 2.6 41.0 18.2 42.0 70.9 43.0 29.4 44.0 1.1 51.0 1.1 53.0 3.8 54.0 2.0 55.0 32.8 56.0 15.0 57.0 9.8 58.0 75.7 59.0 2.9 67.0 1.2 70.0 2.9 71.0 2.1 79.0 2.0 80.0 1.1 81.0 2.7 82.0 2.9 83.0 100.0 84.0 32.5 85.0 1.6 94.0 1.1 95.0 1.6 96.0 2.0 97.0 1.6 98.0 26.9 99.0 3.5 112.0 7.2 122.0 6.7 123.0 3.3 124.0 1.5 136.0 1.4 137.0 3.8 140.0 84.7 141.0 8.0 155.0 5.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H17 N O 0.039 g : 0.5 ml CDCl3 2,2,6,6-tetramethyl-4-piperidone 
Assign. Shift(ppm)
A 4.80 B 2.277 C 1.248
Hz ppm Int.1917.85 4.799 40 910.28 2.278 500 498.05 1.247 1000
in CDCl3
KBr disc
nujol mull
