| SpectraBase Compound ID | IAKNLedRqQ3 |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3 |
| InChIKey | SKCYVGUCBRYGTE-UHFFFAOYSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C6H12O2 |
| Exact Mass | 116.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AHPNbtUF5AT |
|---|---|
| Name | 4-Hydroxy-3-hexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.083729624 u |
| Formula | C6H12O2 |
| InChI | InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3 |
| InChIKey | SKCYVGUCBRYGTE-UHFFFAOYSA-N |
| Molecular Weight | 116.160 g/mol |
| SMILES | OC(CC)C(CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.965827 |