| SpectraBase Compound ID | 51kNDctKEhI |
|---|---|
| InChI | InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-12-15-18-16-17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3 |
| InChIKey | LWQKAKYEXISZJN-UHFFFAOYSA-N |
| Mol Weight | 248.41 g/mol |
| Molecular Formula | C17H28O |
| Exact Mass | 248.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BZaRWIddxWT |
|---|---|
| Name | Decoxymethylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.214015521 u |
| Formula | C17H28O |
| InChI | InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-12-15-18-16-17-13-10-9-11-14-17/h9-11,13-14H,2-8,12,15-16H2,1H3 |
| InChIKey | LWQKAKYEXISZJN-UHFFFAOYSA-N |
| Molecular Weight | 248.410 g/mol |
| SMILES | C1(COCCCCCCCCCC)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888539 |