![8-Methylspiro[5.5]undecan-2-one](/api/spectrum/H32ApERlIfL/structure.png?h=300&w=458 "8-Methylspiro[5.5]undecan-2-one")
| SpectraBase Compound ID | Jng0EgMrHCS |
|---|---|
| InChI | InChI=1S/C12H20O/c1-10-4-2-6-12(8-10)7-3-5-11(13)9-12/h10H,2-9H2,1H3 |
| InChIKey | SOLHJSQCCJXKSX-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 | H32ApERlIfL |
|---|---|
| Name | 8-Methylspiro[5.5]undecan-2-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/c1-10-4-2-6-12(8-10)7-3-5-11(13)9-12/h10H,2-9H2,1H3 |
| InChIKey | SOLHJSQCCJXKSX-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C12(CC(=O)CCC2)CC(C)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968754 |