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(2E,4E,12E)-1-(Piperidin-1-yl)octadeca-2,4,12-trien-1-one

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

(2E,4E,12E)-1-(Piperidin-1-yl)octadeca-2,4,12-trien-1-one
SpectraBase Compound ID E6DWWUJbTym
InChI InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h6-7,14-15,17,20H,2-5,8-13,16,18-19,21-22H2,1H3/b7-6+,15-14+,20-17+
InChIKey HFWMTBWJCPVZTO-NMPGFTJCSA-N
Mol Weight 345.6 g/mol
Molecular Formula C23H39NO
Exact Mass 345.303165 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LqH6o4tTvSv
Name (2E,4E,12E)-1-(Piperidin-1-yl)octadeca-2,4,12-trien-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.303164879 u
Formula C23H39NO
InChI InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h6-7,14-15,17,20H,2-5,8-13,16,18-19,21-22H2,1H3/b7-6+,15-14+,20-17+
InChIKey HFWMTBWJCPVZTO-NMPGFTJCSA-N
Molecular Weight 345.571 g/mol
SMILES C(\C=C\C=C\CCCCCC\C=C\CCCCC)(=O)N1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.985846