| SpectraBase Compound ID | Ed3NyJdo87k |
|---|---|
| InChI | InChI=1S/C6H10O/c1-6(2,3)4-5-7/h4H,1-3H3 |
| InChIKey | YTWIDGFPLSMRCW-UHFFFAOYSA-N |
| Mol Weight | 98.14 g/mol |
| Molecular Formula | C6H10O |
| Exact Mass | 98.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9prL5kRuRTp |
|---|---|
| Name | 1-Buten-1-one, 3,3-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 98.073164941 u |
| Formula | C6H10O |
| InChI | InChI=1S/C6H10O/c1-6(2,3)4-5-7/h4H,1-3H3 |
| InChIKey | YTWIDGFPLSMRCW-UHFFFAOYSA-N |
| Molecular Weight | 98.145 g/mol |
| SMILES | C(=C=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949666 |