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(2E,4E,10E)-1-(Piperidin-1-yl)hexadeca-2,4,10-trien-1-one

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

(2E,4E,10E)-1-(Piperidin-1-yl)hexadeca-2,4,10-trien-1-one
SpectraBase Compound ID 2XEVfXAL7Mi
InChI InChI=1S/C21H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)22-19-16-14-17-20-22/h6-7,12-13,15,18H,2-5,8-11,14,16-17,19-20H2,1H3/b7-6+,13-12+,18-15+
InChIKey MKTHMAHGEGGOMR-PJOYGNGYSA-N
Mol Weight 317.5 g/mol
Molecular Formula C21H35NO
Exact Mass 317.271865 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GITXKBmylAJ
Name (2E,4E,10E)-1-(Piperidin-1-yl)hexadeca-2,4,10-trien-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.271864750 u
Formula C21H35NO
InChI InChI=1S/C21H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)22-19-16-14-17-20-22/h6-7,12-13,15,18H,2-5,8-11,14,16-17,19-20H2,1H3/b7-6+,13-12+,18-15+
InChIKey MKTHMAHGEGGOMR-PJOYGNGYSA-N
Molecular Weight 317.517 g/mol
SMILES C(\C=C\C=C\CCCC\C=C\CCCCC)(=O)N1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.990236