| SpectraBase Compound ID | 1ITOmnJ19yV |
|---|---|
| InChI | InChI=1S/C12H22O/c1-3-4-5-6-9-12(2)10-7-8-11(12)13/h3-10H2,1-2H3 |
| InChIKey | CGRJVJDUELVQQC-UHFFFAOYSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 87DiSHtrXwz |
|---|---|
| Name | 2-Hexyl-2-methylcyclopentanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-3-4-5-6-9-12(2)10-7-8-11(12)13/h3-10H2,1-2H3 |
| InChIKey | CGRJVJDUELVQQC-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C1(C(=O)CCC1)(CCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916405 |