| SpectraBase Compound ID | 9VpsSBtRZ8s |
|---|---|
| InChI | InChI=1S/C8H12O/c1-7-4-2-3-5-8(9)6-7/h3,5,7H,2,4,6H2,1H3/t7-/m0/s1 |
| InChIKey | WYIKEHMRDNJOAU-ZETCQYMHSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C6aqU8kDm7U |
|---|---|
| Name | (S)-6-Methyl-2-cycloheptenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-7-4-2-3-5-8(9)6-7/h3,5,7H,2,4,6H2,1H3/t7-/m0/s1 |
| InChIKey | WYIKEHMRDNJOAU-ZETCQYMHSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C1(C=CCC[C@@](C1)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929262 |