| SpectraBase Compound ID | ASPQLNmPn57 |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-8(2)10(12,9(3)4)6-5-7-11/h8-9,11-12H,7H2,1-4H3 |
| InChIKey | HRSMSCVQDVMVAT-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gzw5fYi3bC0 |
|---|---|
| Name | 4-Isopropyl-5-methylhex-2-yne-1,4-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-8(2)10(12,9(3)4)6-5-7-11/h8-9,11-12H,7H2,1-4H3 |
| InChIKey | HRSMSCVQDVMVAT-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | CC(C)C(C(C)C)(O)C#CCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932598 |