| SpectraBase Compound ID | JGCn4sqRH0P |
|---|---|
| InChI | InChI=1S/C20H34O2/c1-5-6-7-8-9-10-11-12-19(21)22-18-13-15(2)16-14-17(18)20(16,3)4/h13,16-18H,5-12,14H2,1-4H3 |
| InChIKey | XMOYMWIGBAEZME-UHFFFAOYSA-N |
| Mol Weight | 306.5 g/mol |
| Molecular Formula | C20H34O2 |
| Exact Mass | 306.25588 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Lb9XydcPGwN |
|---|---|
| Name | Trans-verbenyl caprate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.255880333 u |
| Formula | C20H34O2 |
| InChI | InChI=1S/C20H34O2/c1-5-6-7-8-9-10-11-12-19(21)22-18-13-15(2)16-14-17(18)20(16,3)4/h13,16-18H,5-12,14H2,1-4H3 |
| InChIKey | XMOYMWIGBAEZME-UHFFFAOYSA-N |
| SMILES | C1(C2C(=CC(C1C2)OC(CCCCCCCCC)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896693 |