| SpectraBase Compound ID | GnGkrUb7jH8 |
|---|---|
| InChI | InChI=1S/C7H10O3/c1-2-3-5-6(8)4-10-7(5)9/h5H,2-4H2,1H3 |
| InChIKey | AFSMORKNOPSRDY-UHFFFAOYSA-N |
| Mol Weight | 142.15 g/mol |
| Molecular Formula | C7H10O3 |
| Exact Mass | 142.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EE4hct3Itqp |
|---|---|
| Name | 2,4(3H,5H)-Furandione, 3-propyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.062994179 u |
| Formula | C7H10O3 |
| InChI | InChI=1S/C7H10O3/c1-2-3-5-6(8)4-10-7(5)9/h5H,2-4H2,1H3 |
| InChIKey | AFSMORKNOPSRDY-UHFFFAOYSA-N |
| SMILES | C(CC1C(=O)COC1=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85297 |