| SpectraBase Compound ID | CjxjrBpmcb8 |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-3-5-8(9)6-4-7-10-2/h8-9H,3,5,7H2,1-2H3 |
| InChIKey | BACCVJHEUAWPNZ-UHFFFAOYSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JwjPjSykOrT |
|---|---|
| Name | 2-Heptyn-4-ol, 1-methoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.099379689 u |
| Formula | C8H14O2 |
| InChI | InChI=1S/C8H14O2/c1-3-5-8(9)6-4-7-10-2/h8-9H,3,5,7H2,1-2H3 |
| InChIKey | BACCVJHEUAWPNZ-UHFFFAOYSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C(#CCOC)C(O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909833 |