| SpectraBase Compound ID | 8914yPUOWB7 |
|---|---|
| InChI | InChI=1S/C10H16O3/c1-2-3-7-13-10(12)8-5-4-6-9(8)11/h8H,2-7H2,1H3 |
| InChIKey | QYSLBQOEWQZYPF-UHFFFAOYSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C10H16O3 |
| Exact Mass | 184.109944 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | H0OIUDk2iiy |
|---|---|
| Name | 2-Oxocyclopentanecarboxylic acid, butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.109944372 u |
| Formula | C10H16O3 |
| InChI | InChI=1S/C10H16O3/c1-2-3-7-13-10(12)8-5-4-6-9(8)11/h8H,2-7H2,1H3 |
| InChIKey | QYSLBQOEWQZYPF-UHFFFAOYSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | CCCCOC(C1C(CCC1)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.974302 |