| SpectraBase Compound ID | 7bqCqRCAJqf |
|---|---|
| InChI | InChI=1S/C10H14O/c1-7-6-10(11)9-5-3-2-4-8(7)9/h7H,2-6H2,1H3 |
| InChIKey | XAIDJKMHAGUWQN-UHFFFAOYSA-N |
| Mol Weight | 150.22 g/mol |
| Molecular Formula | C10H14O |
| Exact Mass | 150.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FXAUilUn6xj |
|---|---|
| Name | 3-Methyl-2,3,4,5,6,7-hexahydroinden-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.104465070 u |
| Formula | C10H14O |
| InChI | InChI=1S/C10H14O/c1-7-6-10(11)9-5-3-2-4-8(7)9/h7H,2-6H2,1H3 |
| InChIKey | XAIDJKMHAGUWQN-UHFFFAOYSA-N |
| Molecular Weight | 150.221 g/mol |
| SMILES | C12=C(C(C)CC2=O)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951748 |