| SpectraBase Compound ID | FKTvFarj4UP |
|---|---|
| InChI | InChI=1S/C20H30O/c1-13-11-20-10-7-15-18(2,3)17(21)8-9-19(15,4)16(20)6-5-14(13)12-20/h11,14-16H,5-10,12H2,1-4H3/t14-,15?,16+,19-,20-/m1/s1 |
| InChIKey | HXDBVRWBRJJTIL-KVLPIKFVSA-N |
| Mol Weight | 286.46 g/mol |
| Molecular Formula | C20H30O |
| Exact Mass | 286.229666 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CafSwDYm5eH |
|---|---|
| Name | 3-oxo-ent-Kaur-15-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.229665585 u |
| Formula | C20H30O |
| InChI | InChI=1S/C20H30O/c1-13-11-20-10-7-15-18(2,3)17(21)8-9-19(15,4)16(20)6-5-14(13)12-20/h11,14-16H,5-10,12H2,1-4H3/t14-,15?,16+,19-,20-/m1/s1 |
| InChIKey | HXDBVRWBRJJTIL-KVLPIKFVSA-N |
| SMILES | [C@]12(C(C(C)(C)C(CC2)=O)CC[C@]23[C@]1(CC[C@@](C(=C3)C)(C2)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930847 |