| SpectraBase Compound ID | 9EW0S2zQaFr |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-2-3-6-9-10-7-4-5-8-11-9/h9H,2-8H2,1H3 |
| InChIKey | PXCOIAPLSXJTTQ-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8jFx8LEoiNU |
|---|---|
| Name | 2-Butyl-1,3-dioxepane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.130679818 u |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-2-3-6-9-10-7-4-5-8-11-9/h9H,2-8H2,1H3 |
| InChIKey | PXCOIAPLSXJTTQ-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | C1(OCCCCO1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974124 |