| SpectraBase Compound ID | DruApkggGqS |
|---|---|
| InChI | InChI=1S/C18H29NO/c1-17(16-20)11-8-6-4-2-3-5-7-9-12-18-13-10-14-19-15-18/h10,13-17H,2-9,11-12H2,1H3 |
| InChIKey | LUMDYBWCUSZXFA-UHFFFAOYSA-N |
| Mol Weight | 275.44 g/mol |
| Molecular Formula | C18H29NO |
| Exact Mass | 275.224915 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D1vdz4uJbl4 |
|---|---|
| Name | 2-Methyl-12-(3-pyridyl)dodecanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.224914557 u |
| Formula | C18H29NO |
| InChI | InChI=1S/C18H29NO/c1-17(16-20)11-8-6-4-2-3-5-7-9-12-18-13-10-14-19-15-18/h10,13-17H,2-9,11-12H2,1H3 |
| InChIKey | LUMDYBWCUSZXFA-UHFFFAOYSA-N |
| SMILES | C1=NC=CC=C1CCCCCCCCCCC(C=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938368 |