| SpectraBase Compound ID | 6JdRzjPF2EK |
|---|---|
| InChI | InChI=1S/C17H21NO4/c1-10(2)6-7-22-15-8-13-14(16(21-5)11(15)3)9-18(12(4)19)17(13)20/h6,8H,7,9H2,1-5H3 |
| InChIKey | LQWWFPAROGUHQR-UHFFFAOYSA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C17H21NO4 |
| Exact Mass | 303.147058 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Cp7VpXaD7r |
|---|---|
| Name | Zinnimidine, ac derivative |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.147058156 u |
| Formula | C17H21NO4 |
| InChI | InChI=1S/C17H21NO4/c1-10(2)6-7-22-15-8-13-14(16(21-5)11(15)3)9-18(12(4)19)17(13)20/h6,8H,7,9H2,1-5H3 |
| InChIKey | LQWWFPAROGUHQR-UHFFFAOYSA-N |
| SMILES | C1(N(CC2=C1C=C(C(=C2OC)C)OCC=C(C)C)C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857982 |