| SpectraBase Compound ID | 5aLNxxNcND5 |
|---|---|
| InChI | InChI=1S/C7H10O2/c1-4-5-6(2)9-7(3)8/h6H,1-3H3 |
| InChIKey | YIUDCVHOVPHGCV-UHFFFAOYSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JPcdEVtmK0B |
|---|---|
| Name | Pent-3-yn-2-yl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.068079560 u |
| Formula | C7H10O2 |
| InChI | InChI=1S/C7H10O2/c1-4-5-6(2)9-7(3)8/h6H,1-3H3 |
| InChIKey | YIUDCVHOVPHGCV-UHFFFAOYSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C(C)(=O)OC(C)C#CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946156 |