| SpectraBase Compound ID | 39xY4jtk4nV |
|---|---|
| InChI | InChI=1S/C11H24O/c1-6-7-8-9-10(2,3)11(4,5)12/h12H,6-9H2,1-5H3 |
| InChIKey | OYDIQOJENBZPBB-UHFFFAOYSA-N |
| Mol Weight | 172.31 g/mol |
| Molecular Formula | C11H24O |
| Exact Mass | 172.182715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Eo1WGUdTzXe |
|---|---|
| Name | 2-Octanol, 2,3,3-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.182715392 u |
| Formula | C11H24O |
| InChI | InChI=1S/C11H24O/c1-6-7-8-9-10(2,3)11(4,5)12/h12H,6-9H2,1-5H3 |
| InChIKey | OYDIQOJENBZPBB-UHFFFAOYSA-N |
| Molecular Weight | 172.312 g/mol |
| SMILES | C(C(CCCCC)(C)C)(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957433 |