| SpectraBase Compound ID | CkE2T9efxSU |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-2-6(8)4-3-5-7/h7H,2-5H2,1H3 |
| InChIKey | APQMHEQLBDXGMP-UHFFFAOYSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C6H12O2 |
| Exact Mass | 116.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9zZYX3dzfFi |
|---|---|
| Name | 3-Hexanone, 6-hydroxy- |
| 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/c1-2-6(8)4-3-5-7/h7H,2-5H2,1H3 |
| InChIKey | APQMHEQLBDXGMP-UHFFFAOYSA-N |
| Molecular Weight | 116.160 g/mol |
| SMILES | C(=O)(CC)CCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961009 |