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2-Hydroxy-4-methoxybenzaldehyde, pentyl ether

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

2-Hydroxy-4-methoxybenzaldehyde, pentyl ether
SpectraBase Compound ID FD9USNX60cF
InChI InChI=1S/C13H18O3/c1-3-4-5-8-16-13-9-12(15-2)7-6-11(13)10-14/h6-7,9-10H,3-5,8H2,1-2H3
InChIKey HHKQGMUKYNDPMP-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 4WOhEpoHFyP
Name 2-Hydroxy-4-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/c1-3-4-5-8-16-13-9-12(15-2)7-6-11(13)10-14/h6-7,9-10H,3-5,8H2,1-2H3
InChIKey HHKQGMUKYNDPMP-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C1(=C(C=CC(=C1)OC)C=O)OCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967696