| SpectraBase Compound ID | AucDdZUXRik |
|---|---|
| InChI | InChI=1S/C8H14O/c1-3-8-6-7(2)4-5-9-8/h6,8H,3-5H2,1-2H3 |
| InChIKey | BAXPOHLCLDVUHH-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
| SpectraBase Spectrum ID | DWwKD7nkp3T |
|---|---|
| Name | 2H-Pyran, 2-ethyl-5,6-dihydro-4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-3-8-6-7(2)4-5-9-8/h6,8H,3-5H2,1-2H3 |
| InChIKey | BAXPOHLCLDVUHH-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C1=C(CCOC1CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.843428 |