| SpectraBase Compound ID | LAO2QMibBHO |
|---|---|
| InChI | InChI=1S/C20H36O2/c1-14(11-13-21)6-8-16-15(2)7-9-17-19(3,4)18(22)10-12-20(16,17)5/h14,16-18,21-22H,2,6-13H2,1,3-5H3/t14-,16+,17-,18+,20-/m1/s1 |
| InChIKey | ZORMCMFEBIUIRM-LZRWSTQFSA-N |
| Mol Weight | 308.5 g/mol |
| Molecular Formula | C20H36O2 |
| Exact Mass | 308.27153 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9GAMsHUqBt |
|---|---|
| Name | (+)-(13S)-labd-8(17)-ene-3.beta.,15-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.271530397 u |
| Formula | C20H36O2 |
| InChI | InChI=1S/C20H36O2/c1-14(11-13-21)6-8-16-15(2)7-9-17-19(3,4)18(22)10-12-20(16,17)5/h14,16-18,21-22H,2,6-13H2,1,3-5H3/t14-,16+,17-,18+,20-/m1/s1 |
| InChIKey | ZORMCMFEBIUIRM-LZRWSTQFSA-N |
| Molecular Weight | 308.506 g/mol |
| SMILES | [C@@]12([C@@](C([C@@](O)(CC2)[H])(C)C)(CCC([C@@]1(CC[C@](CCO)(C)[H])[H])=C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871988 |