| SpectraBase Compound ID | FPPmFshKkHL |
|---|---|
| InChI | InChI=1S/C12H20O/c1-10-6-3-4-8-12(10)9-5-7-11(2)13/h12H,1,3-9H2,2H3 |
| InChIKey | AKULZKYGUDSHMM-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 | H9TILsResdy |
|---|---|
| Name | 2-Pentanone, 5-(2-methylenecyclohexyl)-, stereoisomer |
| 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/c1-10-6-3-4-8-12(10)9-5-7-11(2)13/h12H,1,3-9H2,2H3 |
| InChIKey | AKULZKYGUDSHMM-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C(CC1C(=C)CCCC1)CC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902634 |