| SpectraBase Compound ID | LbG3ih7vPai |
|---|---|
| InChI | InChI=1S/C20H34O2/c1-5-6-7-8-9-10-11-12-19(21)22-18-14-16-13-17(15(18)2)20(16,3)4/h16-18H,2,5-14H2,1,3-4H3 |
| InChIKey | UAQXIEIGKOSXLQ-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 | 14iQynCf6FZ |
|---|---|
| Name | Trans-pinocarvyl 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)22-18-14-16-13-17(15(18)2)20(16,3)4/h16-18H,2,5-14H2,1,3-4H3 |
| InChIKey | UAQXIEIGKOSXLQ-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCCC)(=O)OC1C(C2C(C(C1)C2)(C)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917337 |