| SpectraBase Compound ID | BPvG8nVUDO3 |
|---|---|
| InChI | InChI=1S/C19H30O2/c20-16-12-7-5-3-1-2-4-6-8-13-17-21-18-19-14-10-9-11-15-19/h9-11,14-16H,1-8,12-13,17-18H2 |
| InChIKey | KKTJKHPSQIZIEM-UHFFFAOYSA-N |
| Mol Weight | 290.45 g/mol |
| Molecular Formula | C19H30O2 |
| Exact Mass | 290.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3por8FFMeX |
|---|---|
| Name | 12-Benzyloxydodecanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.224580204 u |
| Formula | C19H30O2 |
| InChI | InChI=1S/C19H30O2/c20-16-12-7-5-3-1-2-4-6-8-13-17-21-18-19-14-10-9-11-15-19/h9-11,14-16H,1-8,12-13,17-18H2 |
| InChIKey | KKTJKHPSQIZIEM-UHFFFAOYSA-N |
| SMILES | C(=O)CCCCCCCCCCCOCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940106 |