| SpectraBase Compound ID | 6H3kMMafj4K |
|---|---|
| InChI | InChI=1S/C12H26O2/c1-9(2)12(7-5-10(3)13)8-6-11(4)14/h9-14H,5-8H2,1-4H3 |
| InChIKey | UBXHRGCEAFKBFZ-UHFFFAOYSA-N |
| Mol Weight | 202.34 g/mol |
| Molecular Formula | C12H26O2 |
| Exact Mass | 202.19328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AAvwKItwm0z |
|---|---|
| Name | 5-Isopropyl-nonane-2,8-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.193280075 u |
| Formula | C12H26O2 |
| InChI | InChI=1S/C12H26O2/c1-9(2)12(7-5-10(3)13)8-6-11(4)14/h9-14H,5-8H2,1-4H3 |
| InChIKey | UBXHRGCEAFKBFZ-UHFFFAOYSA-N |
| Molecular Weight | 202.338 g/mol |
| SMILES | C(CC(C(C)C)CCC(C)O)C(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906275 |