| SpectraBase Compound ID | HenR5JCyYAG |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h9H,2-8H2,1H3 |
| InChIKey | UBEVLTHYAFYOEU-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Irk0ib9d3gx |
|---|---|
| Name | Cyclohexanecarboxylic acid, propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h9H,2-8H2,1H3 |
| InChIKey | UBEVLTHYAFYOEU-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | CCCOC(=O)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955367 |