| SpectraBase Compound ID | 2MB4GiyEQRl |
|---|---|
| InChI | InChI=1S/C7H16O2/c1-5(2)6(8)7(3,4)9/h5-6,8-9H,1-4H3 |
| InChIKey | GCQIRPJZONARRR-UHFFFAOYSA-N |
| Mol Weight | 132.2 g/mol |
| Molecular Formula | C7H16O2 |
| Exact Mass | 132.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KGAOOaexsN2 |
|---|---|
| Name | 2,3-Pentanediol, 2,4-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.115029753 u |
| Formula | C7H16O2 |
| InChI | InChI=1S/C7H16O2/c1-5(2)6(8)7(3,4)9/h5-6,8-9H,1-4H3 |
| InChIKey | GCQIRPJZONARRR-UHFFFAOYSA-N |
| Molecular Weight | 132.203 g/mol |
| SMILES | C(C(C)(C)O)(C(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931993 |