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2-Butyryl-5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-enone

View entire compound with spectra: 2 NMR, and 1 FTIR

2-Butyryl-5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-enone
SpectraBase Compound ID 9DX9XNgrX4B
InChI InChI=1S/C16H25NO2/c1-4-7-13(18)15-12(17-8-5-6-9-17)10-16(2,3)11-14(15)19/h4-11H2,1-3H3
InChIKey JYAGJIGLOWLZBQ-UHFFFAOYSA-N
Mol Weight 263.38 g/mol
Molecular Formula C16H25NO2
Exact Mass 263.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AVTMiyhIYJQ
Name 2-Butyryl-5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-enone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.188529047 u
Formula C16H25NO2
InChI InChI=1S/C16H25NO2/c1-4-7-13(18)15-12(17-8-5-6-9-17)10-16(2,3)11-14(15)19/h4-11H2,1-3H3
InChIKey JYAGJIGLOWLZBQ-UHFFFAOYSA-N
Molecular Weight 263.381 g/mol
SMILES C1C(CC(C(=C1N1CCCC1)C(CCC)=O)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853043