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Coniferyl aldehyde, N-pentyl ether

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Coniferyl aldehyde, N-pentyl ether
SpectraBase Compound ID 3bxaidhfmof
InChI InChI=1S/C15H20O3/c1-3-4-5-11-18-14-9-8-13(7-6-10-16)12-15(14)17-2/h6-10,12H,3-5,11H2,1-2H3/b7-6+
InChIKey OARNDESEWAATOK-VOTSOKGWSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E7LdTdTiWfd
Name Coniferyl aldehyde, N-pentyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.141244501 u
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-3-4-5-11-18-14-9-8-13(7-6-10-16)12-15(14)17-2/h6-10,12H,3-5,11H2,1-2H3/b7-6+
InChIKey OARNDESEWAATOK-VOTSOKGWSA-N
Molecular Weight 248.322 g/mol
SMILES C1(=CC(=C(C=C1)OCCCCC)OC)\C=C\C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986646