| SpectraBase Compound ID | DjgFEXesDqf |
|---|---|
| InChI | InChI=1S/C16H28O/c1-10-6-5-7-13-14(10)15-12(8-11(2)17-15)9-16(13,3)4/h10-15H,5-9H2,1-4H3 |
| InChIKey | ZPLILOBTCSZFIM-UHFFFAOYSA-N |
| Mol Weight | 236.4 g/mol |
| Molecular Formula | C16H28O |
| Exact Mass | 236.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1cfldIsl66I |
|---|---|
| Name | Bicyclofarnesane - oxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.214015521 u |
| Formula | C16H28O |
| InChI | InChI=1S/C16H28O/c1-10-6-5-7-13-14(10)15-12(8-11(2)17-15)9-16(13,3)4/h10-15H,5-9H2,1-4H3 |
| InChIKey | ZPLILOBTCSZFIM-UHFFFAOYSA-N |
| Molecular Weight | 236.399 g/mol |
| SMILES | C12C3C(CCCC3C)C(CC1CC(O2)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949063 |