| SpectraBase Compound ID | H6NmnK42NTY |
|---|---|
| InChI | InChI=1S/C9H20O/c1-7(2)5-6-9(10)8(3)4/h7-10H,5-6H2,1-4H3 |
| InChIKey | XZDMJRIWJSNEGC-UHFFFAOYSA-N |
| Mol Weight | 144.26 g/mol |
| Molecular Formula | C9H20O |
| Exact Mass | 144.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GR5vHQPKceU |
|---|---|
| Name | 3-Heptanol, 2,6-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.151415263 u |
| Formula | C9H20O |
| InChI | InChI=1S/C9H20O/c1-7(2)5-6-9(10)8(3)4/h7-10H,5-6H2,1-4H3 |
| InChIKey | XZDMJRIWJSNEGC-UHFFFAOYSA-N |
| Molecular Weight | 144.258 g/mol |
| SMILES | CC(CCC(O)C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929968 |