| SpectraBase Compound ID | 1AgDHCPfuc |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-2-3-4-7-10-15-13-9-6-5-8-12(13)11-14/h5-6,8-9,11H,2-4,7,10H2,1H3 |
| InChIKey | IFOIDROUJIGQAV-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 55g77K8XDzl |
|---|---|
| Name | Benzaldehyde, 2-(hexyloxy)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-2-3-4-7-10-15-13-9-6-5-8-12(13)11-14/h5-6,8-9,11H,2-4,7,10H2,1H3 |
| InChIKey | IFOIDROUJIGQAV-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C1=C(C(=CC=C1)C=O)OCCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.974824 |