![2(5H)-Furanone, 5-[(acetyloxy)methyl]-, (S)-](/api/spectrum/J5Nd02vO82C/structure.png?h=300&w=458 "2(5H)-Furanone, 5-[(acetyloxy)methyl]-, (S)-")
| SpectraBase Compound ID | H7jqlUoYwrO |
|---|---|
| InChI | InChI=1S/C7H8O4/c1-5(8)10-4-6-2-3-7(9)11-6/h2-3,6H,4H2,1H3/t6-/m0/s1 |
| InChIKey | CXDHMDVSGRBHQX-LURJTMIESA-N |
| Mol Weight | 156.14 g/mol |
| Molecular Formula | C7H8O4 |
| Exact Mass | 156.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J5Nd02vO82C |
|---|---|
| Name | 2(5H)-Furanone, 5-[(acetyloxy)methyl]-, (S)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.042258734 u |
| Formula | C7H8O4 |
| InChI | InChI=1S/C7H8O4/c1-5(8)10-4-6-2-3-7(9)11-6/h2-3,6H,4H2,1H3/t6-/m0/s1 |
| InChIKey | CXDHMDVSGRBHQX-LURJTMIESA-N |
| Molecular Weight | 156.137 g/mol |
| SMILES | C1(O[C@](COC(=O)C)(C=C1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989463 |