| SpectraBase Compound ID | 3XREOaJPHd9 |
|---|---|
| InChI | InChI=1S/C9H16O/c1-5-7-10-8-6-9(2,3)4/h7H,1,6,8H2,2-4H3 |
| InChIKey | VRGMONFHZYSLIN-UHFFFAOYSA-N |
| Mol Weight | 141.23 g/mol |
| Molecular Formula | C9H17O |
| Exact Mass | 141.12794 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Z4AdEA91pp |
|---|---|
| Name | 3,3-Dimethylbutoxyallene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 141.127940166 u |
| Formula | C9H17O |
| InChI | InChI=1S/C9H16O/c1-5-7-10-8-6-9(2,3)4/h7H,1,6,8H2,2-4H3 |
| InChIKey | VRGMONFHZYSLIN-UHFFFAOYSA-N |
| Molecular Weight | 141.234 g/mol |
| Nominal Mass | 141 u |
| SMILES | [CH3]=C=COCCC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926047 |