| SpectraBase Compound ID | 4cIQDTYF2Om |
|---|---|
| InChI | InChI=1S/C7H10O4/c1-5(8)10-7-4-2-3-6(9)11-7/h7H,2-4H2,1H3 |
| InChIKey | CWIVHOAHSDNSCE-UHFFFAOYSA-N |
| Mol Weight | 158.15 g/mol |
| Molecular Formula | C7H10O4 |
| Exact Mass | 158.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5QAyzlECGfD |
|---|---|
| Name | 5-Acetoxy-5-pentanolide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.057908798 u |
| Formula | C7H10O4 |
| InChI | InChI=1S/C7H10O4/c1-5(8)10-7-4-2-3-6(9)11-7/h7H,2-4H2,1H3 |
| InChIKey | CWIVHOAHSDNSCE-UHFFFAOYSA-N |
| SMILES | C1(OC(CCC1)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984689 |