| SpectraBase Compound ID | 1Ib7Kpc2VaM |
|---|---|
| InChI | InChI=1S/C6H12O/c1-5(2)6(3,4)7/h7H,1H2,2-4H3 |
| InChIKey | AWDLBZUXUNIODN-UHFFFAOYSA-N |
| Mol Weight | 100.16 g/mol |
| Molecular Formula | C6H12O |
| Exact Mass | 100.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FYpp2NZrFZh |
|---|---|
| Name | 3-Buten-2-ol, 2,3-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 100.088815005 u |
| Formula | C6H12O |
| InChI | InChI=1S/C6H12O/c1-5(2)6(3,4)7/h7H,1H2,2-4H3 |
| InChIKey | AWDLBZUXUNIODN-UHFFFAOYSA-N |
| Molecular Weight | 100.161 g/mol |
| SMILES | C(C(C)(C)O)(C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962878 |