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Methyl .alpha.-(2-piperidinocyclohexenyl)acetoacetate

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

Methyl .alpha.-(2-piperidinocyclohexenyl)acetoacetate
SpectraBase Compound ID 9Kw7cUYAuJn
InChI InChI=1S/C16H25NO3/c1-12(18)15(16(19)20-2)13-8-4-5-9-14(13)17-10-6-3-7-11-17/h15H,3-11H2,1-2H3
InChIKey VZVBITDZPSNTLM-UHFFFAOYSA-N
Mol Weight 279.38 g/mol
Molecular Formula C16H25NO3
Exact Mass 279.183444 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ij4ZldEaWZ
Name Methyl .alpha.-(2-piperidinocyclohexenyl)acetoacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.183443666 u
Formula C16H25NO3
InChI InChI=1S/C16H25NO3/c1-12(18)15(16(19)20-2)13-8-4-5-9-14(13)17-10-6-3-7-11-17/h15H,3-11H2,1-2H3
InChIKey VZVBITDZPSNTLM-UHFFFAOYSA-N
Molecular Weight 279.380 g/mol
SMILES C1C(=C(C(C(C)=O)C(OC)=O)CCC1)N1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977971