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4,4-Dimethyl-1-(1-piperidinyl)-1-penten-3-one

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

4,4-Dimethyl-1-(1-piperidinyl)-1-penten-3-one
SpectraBase Compound ID 4bccvgONcSH
InChI InChI=1S/C12H21NO/c1-12(2,3)11(14)7-10-13-8-5-4-6-9-13/h7,10H,4-6,8-9H2,1-3H3/b10-7+
InChIKey SMMGHMWQWOFAHC-JXMROGBWSA-N
Mol Weight 195.31 g/mol
Molecular Formula C12H21NO
Exact Mass 195.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AbY5SIbVJ97
Name 4,4-Dimethyl-1-(1-piperidinyl)-1-penten-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 195.162314299 u
Formula C12H21NO
InChI InChI=1S/C12H21NO/c1-12(2,3)11(14)7-10-13-8-5-4-6-9-13/h7,10H,4-6,8-9H2,1-3H3/b10-7+
InChIKey SMMGHMWQWOFAHC-JXMROGBWSA-N
Molecular Weight 195.306 g/mol
SMILES C1N(\C=C\C(C(C)(C)C)=O)CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971662