| SpectraBase Compound ID | Fy2jFptkZ6x |
|---|---|
| InChI | InChI=1S/C10H14O3/c11-9-5-1-2-7-10(12)13-8-4-3-6-9/h3,6H,1-2,4-5,7-8H2/b6-3+ |
| InChIKey | AMJDXUJMKJIGTH-ZZXKWVIFSA-N |
| Mol Weight | 182.22 g/mol |
| Molecular Formula | C10H14O3 |
| Exact Mass | 182.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9GOoQNc4cJr |
|---|---|
| Name | oxa-Cycloundec-8-ene-2,7-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.094294308 u |
| Formula | C10H14O3 |
| InChI | InChI=1S/C10H14O3/c11-9-5-1-2-7-10(12)13-8-4-3-6-9/h3,6H,1-2,4-5,7-8H2/b6-3+ |
| InChIKey | AMJDXUJMKJIGTH-ZZXKWVIFSA-N |
| Molecular Weight | 182.219 g/mol |
| SMILES | C1(=O)CCCCC(\C=C\CCO1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980626 |