SpectraBase Compound ID | D18eZiuGqyP |
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InChI | InChI=1S/C14H20O3/c1-4-5-6-7-11-8-13(16-2)12(10-15)14(9-11)17-3/h8-10H,4-7H2,1-3H3 |
InChIKey | PALYYMRQTYEEHL-UHFFFAOYSA-N |
Mol Weight | 236.31 g/mol |
Molecular Formula | C14H20O3 |
Exact Mass | 236.141245 g/mol |
SpectraBase Spectrum ID | KCJeNyYV7pZ |
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Name | 2,6-Dimethoxy-4-pentylbenzaldehyde |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 236.141244501 u |
Formula | C14H20O3 |
InChI | InChI=1S/C14H20O3/c1-4-5-6-7-11-8-13(16-2)12(10-15)14(9-11)17-3/h8-10H,4-7H2,1-3H3 |
InChIKey | PALYYMRQTYEEHL-UHFFFAOYSA-N |
Molecular Weight | 236.311 g/mol |
SMILES | C(C=1C(=CC(=CC1OC)CCCCC)OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88659 |