| SpectraBase Compound ID | Ll0wemgyoYO |
|---|---|
| InChI | InChI=1S/C12H26O/c1-9(2)7-12(13,11(5)6)8-10(3)4/h9-11,13H,7-8H2,1-6H3 |
| InChIKey | MRVUYQAVPDEPRD-UHFFFAOYSA-N |
| Mol Weight | 186.34 g/mol |
| Molecular Formula | C12H26O |
| Exact Mass | 186.198365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 54zBoHHQVqZ |
|---|---|
| Name | 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.198365456 u |
| Formula | C12H26O |
| InChI | InChI=1S/C12H26O/c1-9(2)7-12(13,11(5)6)8-10(3)4/h9-11,13H,7-8H2,1-6H3 |
| InChIKey | MRVUYQAVPDEPRD-UHFFFAOYSA-N |
| Molecular Weight | 186.339 g/mol |
| SMILES | C(CC(C)C)(CC(C)C)(C(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923869 |