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2-Hydroxy-3-methoxybenzaldehyde, pentyl ether

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2-Hydroxy-3-methoxybenzaldehyde, pentyl ether
SpectraBase Compound ID 878tFj7xoTF
InChI InChI=1S/C13H18O3/c1-3-4-5-9-16-13-11(10-14)7-6-8-12(13)15-2/h6-8,10H,3-5,9H2,1-2H3
InChIKey LJRAKVKOCXJVMH-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7TYf1zZJqj7
Name 2-Hydroxy-3-methoxybenzaldehyde, pentyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.125594437 u
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-3-4-5-9-16-13-11(10-14)7-6-8-12(13)15-2/h6-8,10H,3-5,9H2,1-2H3
InChIKey LJRAKVKOCXJVMH-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C1=C(C(=C(C=C1)OC)OCCCCC)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970553