| SpectraBase Compound ID | 4UvFo315Ulh |
|---|---|
| InChI | InChI=1S/C8H12O2/c9-8-6-4-2-1-3-5-7-10-8/h4,6H,1-3,5,7H2/b6-4- |
| InChIKey | XNYIMQALUMNHBB-XQRVVYSFSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GJBgCi5GPUL |
|---|---|
| Name | (2Z)-oct-2-Enolide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c9-8-6-4-2-1-3-5-7-10-8/h4,6H,1-3,5,7H2/b6-4- |
| InChIKey | XNYIMQALUMNHBB-XQRVVYSFSA-N |
| SMILES | C1(OCCCCC\C=C/1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970189 |