| SpectraBase Compound ID | 44tDFl4zlIP |
|---|---|
| InChI | InChI=1S/C7H12O2/c8-5-6-3-1-2-4-7(6)9/h6,8H,1-5H2 |
| InChIKey | SIGZQOSGZJNAKB-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1jivec21vz1 |
|---|---|
| Name | Cyclohexanone, 2-(hydroxymethyl)- |
| 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/c8-5-6-3-1-2-4-7(6)9/h6,8H,1-5H2 |
| InChIKey | SIGZQOSGZJNAKB-UHFFFAOYSA-N |
| SMILES | C(O)C1C(=O)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960572 |