| SpectraBase Compound ID | Aahdzltxb0e |
|---|---|
| InChI | InChI=1S/C9H14O/c1-7-6-8(10)4-5-9(7,2)3/h4-5,7H,6H2,1-3H3/t7-/m0/s1 |
| InChIKey | SNCRCXQBWGLTDV-ZETCQYMHSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JJWfUUy2i8o |
|---|---|
| Name | (5S)-4,4,5-Trimethylcyclohex-2-en-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.104465070 u |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-7-6-8(10)4-5-9(7,2)3/h4-5,7H,6H2,1-3H3/t7-/m0/s1 |
| InChIKey | SNCRCXQBWGLTDV-ZETCQYMHSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C=1C([C@@](C)(CC(C1)=O)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892479 |