| SpectraBase Compound ID | Aw1T1b0YyUh |
|---|---|
| InChI | InChI=1S/C13H20O/c1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10/h10H,4-8H2,1-3H3 |
| InChIKey | VQGGYBPBYHKPLZ-UHFFFAOYSA-N |
| Mol Weight | 192.3 g/mol |
| Molecular Formula | C13H20O |
| Exact Mass | 192.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4Dyq9TAK4FM |
|---|---|
| Name | 6-Tert-butyl-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 | 192.151415263 u |
| Formula | C13H20O |
| InChI | InChI=1S/C13H20O/c1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10/h10H,4-8H2,1-3H3 |
| InChIKey | VQGGYBPBYHKPLZ-UHFFFAOYSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | C1=2CC(C(C)(C)C)CCC2CCC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945063 |