| SpectraBase Compound ID | 8uw1rzxyAZk |
|---|---|
| InChI | InChI=1S/C12H20O/c1-4-5-6-7-11-8-9(2)10(3)12(11)13/h11H,4-8H2,1-3H3 |
| InChIKey | SBAMHNHPHMDNDJ-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 | CGwYNTx97g9 |
|---|---|
| Name | 2-Cyclopenten-1-one, 2,3-dimethyl-5-pentyl- |
| 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/c1-4-5-6-7-11-8-9(2)10(3)12(11)13/h11H,4-8H2,1-3H3 |
| InChIKey | SBAMHNHPHMDNDJ-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C=1(C(C(CCCCC)CC1C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868756 |