| SpectraBase Compound ID | CheotIxjjM4 |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-6-3-2-4-9-7(8)5-6/h6H,2-5H2,1H3 |
| InChIKey | CHXLFXLPKLZALY-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FzYHBVxngdV |
|---|---|
| Name | 2-Oxepanone, 4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-6-3-2-4-9-7(8)5-6/h6H,2-5H2,1H3 |
| InChIKey | CHXLFXLPKLZALY-UHFFFAOYSA-N |
| SMILES | C1(OCCCC(C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968246 |