| SpectraBase Compound ID | CfvNZ7uoief |
|---|---|
| InChI | InChI=1S/C10H14O3/c1-8(11)4-2-5-9-6-3-7-10(12)13-9/h3,7,9H,2,4-6H2,1H3 |
| InChIKey | RDIMUEDTLDIZEW-UHFFFAOYSA-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 | 7cFvdNQ5Cxi |
|---|---|
| Name | 6-(4'-Oxopentyl)-5,6-dihydro-2H-pyran-2-one |
| 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/c1-8(11)4-2-5-9-6-3-7-10(12)13-9/h3,7,9H,2,4-6H2,1H3 |
| InChIKey | RDIMUEDTLDIZEW-UHFFFAOYSA-N |
| Molecular Weight | 182.219 g/mol |
| SMILES | C1(OC(CCCC(=O)C)CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938727 |