| SpectraBase Compound ID | 8OL5SF6Z0Fg |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-2-11-9(10)7-8-5-3-4-6-8/h7H,2-6H2,1H3 |
| InChIKey | TXXWSOKUXUMWRZ-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | L4YYaigt68o |
|---|---|
| Name | Deltaone,alpha-cyclopentaneacetic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-2-11-9(10)7-8-5-3-4-6-8/h7H,2-6H2,1H3 |
| InChIKey | TXXWSOKUXUMWRZ-UHFFFAOYSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C1CCC(C1)=CC(OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.962003 |