| SpectraBase Compound ID | 7tG9uPCXBvg |
|---|---|
| InChI | InChI=1S/C12H20O/c1-10(2)9-12(7-8-13)11-5-3-4-6-11/h5,8,10,12H,3-4,6-7,9H2,1-2H3 |
| InChIKey | OSNSHGGBIKEVKN-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 | ABZifL9wAw0 |
|---|---|
| Name | 3-(Cyclopent-1-en-1-yl)-5-methylhexanal |
| 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/c1-10(2)9-12(7-8-13)11-5-3-4-6-11/h5,8,10,12H,3-4,6-7,9H2,1-2H3 |
| InChIKey | OSNSHGGBIKEVKN-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C(CC(CC(C)C)C1=CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.847464 |