| SpectraBase Compound ID | AWXaOBjcH2C |
|---|---|
| InChI | InChI=1S/C7H10O2/c8-7-5-3-1-2-4-6-9-7/h3,5H,1-2,4,6H2/b5-3- |
| InChIKey | XFBQDNBWHANTOC-HYXAFXHYSA-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 | 7tSxk24UZJs |
|---|---|
| Name | (2Z)-Hept-2-enolide |
| 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/c8-7-5-3-1-2-4-6-9-7/h3,5H,1-2,4,6H2/b5-3- |
| InChIKey | XFBQDNBWHANTOC-HYXAFXHYSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C1(OCCCC\C=C/1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985539 |