| SpectraBase Compound ID | I2D7THD4YLv |
|---|---|
| InChI | InChI=1S/C7H12O/c1-5-7(3,6-2)8-4/h1H,6H2,2-4H3 |
| InChIKey | ADNAPRCXSGMYRO-UHFFFAOYSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2Rk5PipUkpK |
|---|---|
| Name | Ether, 1-ethyl-1-methyl-2-propynyl methyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.088815005 u |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-5-7(3,6-2)8-4/h1H,6H2,2-4H3 |
| InChIKey | ADNAPRCXSGMYRO-UHFFFAOYSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | C(C(OC)(C)CC)#C |
| Spectrum/Structure Validation Score (Raman) | 0.929741 |