| SpectraBase Compound ID | LF2qnRDKc1w |
|---|---|
| InChI | InChI=1S/C10H22O/c1-4-6-7-9(3)10(5-2)8-11/h9-11H,4-8H2,1-3H3/t9-,10+/m0/s1 |
| InChIKey | OVSYBIFFESNWJH-VHSXEESVSA-N |
| Mol Weight | 158.28 g/mol |
| Molecular Formula | C10H22O |
| Exact Mass | 158.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AhvwFZ96rJO |
|---|---|
| Name | (2S*,3S*)-2-Ethyl-3-methyl-1-heptanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.167065327 u |
| Formula | C10H22O |
| InChI | InChI=1S/C10H22O/c1-4-6-7-9(3)10(5-2)8-11/h9-11H,4-8H2,1-3H3/t9-,10+/m0/s1 |
| InChIKey | OVSYBIFFESNWJH-VHSXEESVSA-N |
| Molecular Weight | 158.285 g/mol |
| SMILES | C[C@@](CCCC)([C@](CC)(CO)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945022 |