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2-Butoxy-5-methoxy-benzaldehyde

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2-Butoxy-5-methoxy-benzaldehyde
SpectraBase Compound ID 8bGT2rvDl4i
InChI InChI=1S/C12H16O3/c1-3-4-7-15-12-6-5-11(14-2)8-10(12)9-13/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey FFOPXTXCKNPWPB-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2hGvoP0gu0w
Name 2-Hydroxy-5-methoxybenzaldehyde, butyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.109944372 u
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-3-4-7-15-12-6-5-11(14-2)8-10(12)9-13/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey FFOPXTXCKNPWPB-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES C1(=C(C=CC(=C1)OC)OCCCC)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955223