| SpectraBase Compound ID | XLF7tQzjlh |
|---|---|
| InChI | InChI=1S/C12H20O/c1-3-5-7-10-8-6-9-11(10)12(13)4-2/h3-9H2,1-2H3 |
| InChIKey | KKRRDTQBTBPAKD-UHFFFAOYSA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | mPc4id5TcU |
|---|---|
| Name | 1-(2-Butylcyclopent-1-enyl)propan-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c1-3-5-7-10-8-6-9-11(10)12(13)4-2/h3-9H2,1-2H3 |
| InChIKey | KKRRDTQBTBPAKD-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C1(=C(CCC1)C(=O)CC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945557 |