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2-Hydroxy-3-methoxybenzaldehyde, 3-methylbutyl ether

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

2-Hydroxy-3-methoxybenzaldehyde, 3-methylbutyl ether
SpectraBase Compound ID ACnpMEDvSKI
InChI InChI=1S/C13H18O3/c1-10(2)7-8-16-13-11(9-14)5-4-6-12(13)15-3/h4-6,9-10H,7-8H2,1-3H3
InChIKey YXDBDUNVRLTQPU-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 Bg8Ec9gRo32
Name 2-Hydroxy-3-methoxybenzaldehyde, 3-methylbutyl 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/c1-10(2)7-8-16-13-11(9-14)5-4-6-12(13)15-3/h4-6,9-10H,7-8H2,1-3H3
InChIKey YXDBDUNVRLTQPU-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C1=C(C(=C(C=C1)OC)OCCC(C)C)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947561