| SpectraBase Compound ID | 9vLANRh7MbP |
|---|---|
| InChI | InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h8,11,17-18,21H,6-7,9-10,12-14H2,1-5H3/b15-11+/t17-,18-,20+/m0/s1 |
| InChIKey | KPOGKOXAZMFZNM-ATPOGHATSA-N |
| Mol Weight | 290.5 g/mol |
| Molecular Formula | C20H34O |
| Exact Mass | 290.260966 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5E35qh86X0a |
|---|---|
| Name | 15-Hydroxy-7,13E-labdadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.260965714 u |
| Formula | C20H34O |
| InChI | InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h8,11,17-18,21H,6-7,9-10,12-14H2,1-5H3/b15-11+/t17-,18-,20+/m0/s1 |
| InChIKey | KPOGKOXAZMFZNM-ATPOGHATSA-N |
| SMILES | C(O)\C=C\(CC[C@]1(C(=CC[C@]2(C(CCC[C@]12C)(C)C)[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828588 |