| SpectraBase Compound ID | 8YBQOIsWCK7 |
|---|---|
| InChI | InChI=1S/C8H12O/c1-7-3-2-4-8(9)6-5-7/h5-7H,2-4H2,1H3 |
| InChIKey | UAWFZBYGVFDUPV-UHFFFAOYSA-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 | AvNlPKdbFic |
|---|---|
| Name | 4-Methyl-1-cyclohept-2-enone |
| 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/c1-7-3-2-4-8(9)6-5-7/h5-7H,2-4H2,1H3 |
| InChIKey | UAWFZBYGVFDUPV-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | CC1C=CC(=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955105 |