| SpectraBase Compound ID | AAcjdn1KGjQ |
|---|---|
| InChI | InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3 |
| InChIKey | ZYDXBIXQPLRRIK-UHFFFAOYSA-N |
| Mol Weight | 98.14 g/mol |
| Molecular Formula | C6H10O |
| Exact Mass | 98.073165 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Kr7UcYdyBFN |
|---|---|
| Name | 1-Butyne, 3-methoxy-3-methyl-; 3-methoxy-3-methyl-1-butyne; ether, 1,1-dimethyl-2-propynyl methyl- |
| 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/c1-5-6(2,3)7-4/h1H,2-4H3 |
| InChIKey | ZYDXBIXQPLRRIK-UHFFFAOYSA-N |
| Molecular Weight | 98.145 g/mol |
| SMILES | C(C(OC)(C)C)#C |
| Spectrum/Structure Validation Score (Raman) | 0.75444 |