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4-(1,1-Dimethylethyl)-1-(1-oxo-2-butynyl)piperidine

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

4-(1,1-Dimethylethyl)-1-(1-oxo-2-butynyl)piperidine
SpectraBase Compound ID 12Vf6T84mfk
InChI InChI=1S/C13H21NO/c1-5-6-12(15)14-9-7-11(8-10-14)13(2,3)4/h11H,7-10H2,1-4H3
InChIKey IVDPPMBCGDEOCS-UHFFFAOYSA-N
Mol Weight 207.32 g/mol
Molecular Formula C13H21NO
Exact Mass 207.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1LRq0ioj4Qs
Name 4-(1,1-Dimethylethyl)-1-(1-oxo-2-butynyl)piperidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.162314299 u
Formula C13H21NO
InChI InChI=1S/C13H21NO/c1-5-6-12(15)14-9-7-11(8-10-14)13(2,3)4/h11H,7-10H2,1-4H3
InChIKey IVDPPMBCGDEOCS-UHFFFAOYSA-N
Molecular Weight 207.317 g/mol
SMILES C(N1CCC(C(C)(C)C)CC1)(C#CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826193