| SpectraBase Compound ID | FFg50t2joGH |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-6-7-21-13-9-15(19-4)14(16(10-13)20-5)8-11(2)17-12(3)18/h6,9-11H,1,7-8H2,2-5H3,(H,17,18) |
| InChIKey | HXUBSKYDDOUGFO-UHFFFAOYSA-N |
| Mol Weight | 293.36 g/mol |
| Molecular Formula | C16H23NO4 |
| Exact Mass | 293.162708 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KUTimK3mzN7 |
|---|---|
| Name | psi-Malm ac |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.162708221 u |
| Formula | C16H23NO4 |
| InChI | InChI=1S/C16H23NO4/c1-6-7-21-13-9-15(19-4)14(16(10-13)20-5)8-11(2)17-12(3)18/h6,9-11H,1,7-8H2,2-5H3,(H,17,18) |
| InChIKey | HXUBSKYDDOUGFO-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C=C1OC)OCC=C)OC)CC(NC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834785 |