| SpectraBase Compound ID | 3NIwMxFoIWX |
|---|---|
| InChI | InChI=1S/C9H14O3/c10-8-5-1-3-7(8)4-2-6-9(11)12/h7H,1-6H2,(H,11,12) |
| InChIKey | QWRLDLXYFIADDN-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2DiTyM6OPG5 |
|---|---|
| Name | Butanoic acid, 4-(2-oxocyclopentyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c10-8-5-1-3-7(8)4-2-6-9(11)12/h7H,1-6H2,(H,11,12) |
| InChIKey | QWRLDLXYFIADDN-UHFFFAOYSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C1(C(CCC1)=O)CCCC(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908969 |