| SpectraBase Compound ID | EtIlLPFk1Bo |
|---|---|
| InChI | InChI=1S/C19H21NO/c1-3-16(14-20-15(2)21)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13H,3,14H2,1-2H3,(H,20,21) |
| InChIKey | SQXOYVBRQPHNFD-UHFFFAOYSA-N |
| Mol Weight | 279.38 g/mol |
| Molecular Formula | C19H21NO |
| Exact Mass | 279.162314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 483kaJr9O4J |
|---|---|
| Name | Etifelmin ac P777 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.162314299 u |
| Formula | C19H21NO |
| InChI | InChI=1S/C19H21NO/c1-3-16(14-20-15(2)21)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13H,3,14H2,1-2H3,(H,20,21) |
| InChIKey | SQXOYVBRQPHNFD-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1)(=C(CC)CNC(C)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924907 |