| SpectraBase Compound ID | 2XNSvj3ByNJ |
|---|---|
| InChI | InChI=1S/C11H20O/c1-2-3-6-10-7-4-5-8-11(12)9-10/h10H,2-9H2,1H3 |
| InChIKey | GFPSZYZCCVSIOE-UHFFFAOYSA-N |
| Mol Weight | 168.28 g/mol |
| Molecular Formula | C11H20O |
| Exact Mass | 168.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ELJXXKS5a4W |
|---|---|
| Name | Cycloheptanone, 3-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.151415263 u |
| Formula | C11H20O |
| InChI | InChI=1S/C11H20O/c1-2-3-6-10-7-4-5-8-11(12)9-10/h10H,2-9H2,1H3 |
| InChIKey | GFPSZYZCCVSIOE-UHFFFAOYSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | C1(=O)CC(CCCC1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966632 |