| SpectraBase Compound ID | 7sacYG1tzd6 |
|---|---|
| InChI | InChI=1S/C15H26O/c1-3-5-6-7-8-9-10-14-13(4-2)11-12-15(14)16/h3-12H2,1-2H3 |
| InChIKey | OKIRQVSBDAHJLM-UHFFFAOYSA-N |
| Mol Weight | 222.37 g/mol |
| Molecular Formula | C15H26O |
| Exact Mass | 222.198365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LR06C8aZP2m |
|---|---|
| Name | 3-Ethyl-2-octyl-2-cyclopenten-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.198365456 u |
| Formula | C15H26O |
| InChI | InChI=1S/C15H26O/c1-3-5-6-7-8-9-10-14-13(4-2)11-12-15(14)16/h3-12H2,1-2H3 |
| InChIKey | OKIRQVSBDAHJLM-UHFFFAOYSA-N |
| Molecular Weight | 222.372 g/mol |
| SMILES | C1(=C(CCC1=O)CC)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964571 |