| SpectraBase Compound ID | HKjBotm7GcM |
|---|---|
| InChI | InChI=1S/C24H35NO3/c1-20(2)18-25-24(26)14-12-10-8-6-4-3-5-7-9-11-13-21-15-16-22-23(17-21)28-19-27-22/h8,10,12,14-17,20H,3-7,9,11,13,18-19H2,1-2H3,(H,25,26)/b10-8+,14-12+ |
| InChIKey | YABNTTIKFAUBKF-SHQVAAIUSA-N |
| Mol Weight | 385.5 g/mol |
| Molecular Formula | C24H35NO3 |
| Exact Mass | 385.261694 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HrD4641xRNT |
|---|---|
| Name | Dihydroguineensine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.261693988 u |
| Formula | C24H35NO3 |
| InChI | InChI=1S/C24H35NO3/c1-20(2)18-25-24(26)14-12-10-8-6-4-3-5-7-9-11-13-21-15-16-22-23(17-21)28-19-27-22/h8,10,12,14-17,20H,3-7,9,11,13,18-19H2,1-2H3,(H,25,26)/b10-8+,14-12+ |
| InChIKey | YABNTTIKFAUBKF-SHQVAAIUSA-N |
| Molecular Weight | 385.548 g/mol |
| SMILES | C12=C(OCO2)C=CC(=C1)CCCCCCCC\C=C\C=C\C(NCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969752 |