| SpectraBase Compound ID | 4PoY0mmr6WO |
|---|---|
| InChI | InChI=1S/C13H28O2/c1-11(2)10-12(3)8-6-7-9-13(14-4)15-5/h11-13H,6-10H2,1-5H3 |
| InChIKey | VLACZRBICHZQFF-UHFFFAOYSA-N |
| Mol Weight | 216.36 g/mol |
| Molecular Formula | C13H28O2 |
| Exact Mass | 216.20893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8WkjkjsVJal |
|---|---|
| Name | 6,8-Dimethylnonanal dimethyl acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.208930140 u |
| Formula | C13H28O2 |
| InChI | InChI=1S/C13H28O2/c1-11(2)10-12(3)8-6-7-9-13(14-4)15-5/h11-13H,6-10H2,1-5H3 |
| InChIKey | VLACZRBICHZQFF-UHFFFAOYSA-N |
| Molecular Weight | 216.365 g/mol |
| SMILES | C(C(CCCCC(OC)OC)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861496 |