| SpectraBase Compound ID | DIOeBD0I0xr |
|---|---|
| InChI | InChI=1S/C24H33NO3/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/h8,10-17,20H,3-7,9,18-19H2,1-2H3,(H,25,26)/b10-8+,13-11+,14-12+ |
| InChIKey | FPMPOFBEYSSYDQ-AUVZEZIHSA-N |
| Mol Weight | 383.5 g/mol |
| Molecular Formula | C24H33NO3 |
| Exact Mass | 383.246044 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8XxiH65dDvg |
|---|---|
| Name | Guineensine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.246043924 u |
| Formula | C24H33NO3 |
| InChI | InChI=1S/C24H33NO3/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/h8,10-17,20H,3-7,9,18-19H2,1-2H3,(H,25,26)/b10-8+,13-11+,14-12+ |
| InChIKey | FPMPOFBEYSSYDQ-AUVZEZIHSA-N |
| Molecular Weight | 383.532 g/mol |
| SMILES | C(=O)(\C=C\C=C\CCCCCC\C=C\C1=CC2=C(C=C1)OCO2)NCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965734 |