| SpectraBase Compound ID | 6jS7yLUtDiN |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-7-2-4-8(5-3-7)10-6-9/h6-8H,2-5H2,1H3 |
| InChIKey | DZRDTGDYROJVPD-UHFFFAOYSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JhGWcxf2ZaN |
|---|---|
| Name | Formic acid, trans-4-methylcyclohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.099379689 u |
| Formula | C8H14O2 |
| InChI | InChI=1S/C8H14O2/c1-7-2-4-8(5-3-7)10-6-9/h6-8H,2-5H2,1H3 |
| InChIKey | DZRDTGDYROJVPD-UHFFFAOYSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | CC1CCC(OC=O)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943139 |