| SpectraBase Compound ID | CBi7OijkBhV |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2,9H,1,3-8H2 |
| InChIKey | AIPJCMMALQPRMK-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H6p168MZMGe |
|---|---|
| Name | Cyclohexanecarboxylic acid, 2-propenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2,9H,1,3-8H2 |
| InChIKey | AIPJCMMALQPRMK-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C=CCOC(C1CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854767 |