| SpectraBase Compound ID | 7l4ZsDxZh6i |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-16-5-3-6-17(2,15(21)22)12(16)4-7-18-8-9-19(23,10-13(16)18)14(20)11-18/h12-13,23H,3-11H2,1-2H3,(H,21,22) |
| InChIKey | NNOIMPNUEAZRGE-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HuWBj2KXzka |
|---|---|
| Name | Keto-norsteviol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-16-5-3-6-17(2,15(21)22)12(16)4-7-18-8-9-19(23,10-13(16)18)14(20)11-18/h12-13,23H,3-11H2,1-2H3,(H,21,22) |
| InChIKey | NNOIMPNUEAZRGE-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1CC(C2C(C1)(C)C1C3(CC(C(C1)(O)CC3)=O)CC2)(C)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814027 |