| SpectraBase Compound ID | A1HiIxOg8Hw |
|---|---|
| InChI | InChI=1S/C7H16O/c1-6(2)7(3)4-5-8/h6-8H,4-5H2,1-3H3/t7-/m1/s1 |
| InChIKey | SVJNECJVNWTYQG-SSDOTTSWSA-N |
| Mol Weight | 116.2 g/mol |
| Molecular Formula | C7H16O |
| Exact Mass | 116.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F4rVhnTNVbH |
|---|---|
| Name | (R)-3,4-Dimethyl-1-pentanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.120115134 u |
| Formula | C7H16O |
| InChI | InChI=1S/C7H16O/c1-6(2)7(3)4-5-8/h6-8H,4-5H2,1-3H3/t7-/m1/s1 |
| InChIKey | SVJNECJVNWTYQG-SSDOTTSWSA-N |
| Molecular Weight | 116.204 g/mol |
| SMILES | C(O)C[C@](C(C)C)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93487 |