| SpectraBase Compound ID | LRjgaMWv4z8 |
|---|---|
| InChI | InChI=1S/C11H18O/c1-2-3-4-6-10-7-5-8-11(12)9-10/h9H,2-8H2,1H3 |
| InChIKey | UNXYWNYOLBUJRO-UHFFFAOYSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 59zCQdf2mVn |
|---|---|
| Name | 3-Amylcyclohex-2-en-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.135765199 u |
| Formula | C11H18O |
| InChI | InChI=1S/C11H18O/c1-2-3-4-6-10-7-5-8-11(12)9-10/h9H,2-8H2,1H3 |
| InChIKey | UNXYWNYOLBUJRO-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | C1=C(CCCC1=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96417 |