| SpectraBase Compound ID | IT03FbiNJ9C |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-9(2)7-8-13-11(12)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3 |
| InChIKey | XWTWGWCSIXFCEN-UHFFFAOYSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3Tg2hiFvXMO |
|---|---|
| Name | Cyclopentanecarboxylic acid, 3-methylbutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-9(2)7-8-13-11(12)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3 |
| InChIKey | XWTWGWCSIXFCEN-UHFFFAOYSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C1CCC(C1)C(OCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846609 |