| SpectraBase Compound ID | N8OMM8GU6e |
|---|---|
| InChI | InChI=1S/C20H34O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h14,17H,6-13H2,1-5H3,(H,21,22) |
| InChIKey | DDQBLYGUEMMEDD-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 | D4NKRCvCy0e |
|---|---|
| Name | Labd-8-en-15-oic acid |
| 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/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h14,17H,6-13H2,1-5H3,(H,21,22) |
| InChIKey | DDQBLYGUEMMEDD-UHFFFAOYSA-N |
| SMILES | C1CCC(C2C1(C(CCC(C)CC(=O)O)=C(CC2)C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973011 |