| SpectraBase Compound ID | Fg1sVAtTJPN |
|---|---|
| InChI | InChI=1S/C8H16O2/c1-3-5-8(10)6-7(9)4-2/h7,9H,3-6H2,1-2H3 |
| InChIKey | VBRZKWVLBUXHDY-UHFFFAOYSA-N |
| Mol Weight | 144.21 g/mol |
| Molecular Formula | C8H16O2 |
| Exact Mass | 144.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F95BQQEzc4d |
|---|---|
| Name | 6-Hydroxy-4-octanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.115029753 u |
| Formula | C8H16O2 |
| InChI | InChI=1S/C8H16O2/c1-3-5-8(10)6-7(9)4-2/h7,9H,3-6H2,1-2H3 |
| InChIKey | VBRZKWVLBUXHDY-UHFFFAOYSA-N |
| Molecular Weight | 144.214 g/mol |
| SMILES | C(O)(CC(=O)CCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927227 |