| SpectraBase Compound ID | 1t3Bxom7giU |
|---|---|
| InChI | InChI=1S/C12H22O/c13-11-7-6-10-12-8-4-2-1-3-5-9-12/h10,13H,1-9,11H2 |
| InChIKey | YAGWHEUQVVXLCK-UHFFFAOYSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4eF4WmwRuhd |
|---|---|
| Name | 1-Butanol, 4-cyclooctylidene- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c13-11-7-6-10-12-8-4-2-1-3-5-9-12/h10,13H,1-9,11H2 |
| InChIKey | YAGWHEUQVVXLCK-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C1(=CCCCO)CCCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87095 |