| SpectraBase Compound ID | D3pm0Kfmze7 |
|---|---|
| InChI | InChI=1S/C8H16O2/c1-4-5-6-7(9)8(2,3)10/h10H,4-6H2,1-3H3 |
| InChIKey | NZBJTVZWPSSYFB-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 | 3yVHFrGNMdH |
|---|---|
| Name | 2-Hydroxy-2-methyl-3-heptanone |
| 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/c1-4-5-6-7(9)8(2,3)10/h10H,4-6H2,1-3H3 |
| InChIKey | NZBJTVZWPSSYFB-UHFFFAOYSA-N |
| Molecular Weight | 144.214 g/mol |
| SMILES | CC(C(CCCC)=O)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964155 |