| SpectraBase Compound ID | H7ispk6SlVo |
|---|---|
| InChI | InChI=1S/C8H16O2/c1-7(6-9)4-3-5-8(2)10/h7,9H,3-6H2,1-2H3/t7-/m1/s1 |
| InChIKey | GWRSINQMTFUHBY-SSDOTTSWSA-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 | BEJGMCyB3Ej |
|---|---|
| Name | 2-Heptanone, 7-hydroxy-6-methyl-, (R)- |
| 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/c1-7(6-9)4-3-5-8(2)10/h7,9H,3-6H2,1-2H3/t7-/m1/s1 |
| InChIKey | GWRSINQMTFUHBY-SSDOTTSWSA-N |
| Molecular Weight | 144.214 g/mol |
| SMILES | C(=O)(CCC[C@](CO)(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971466 |