| SpectraBase Compound ID | BdKCFZbtW12 |
|---|---|
| InChI | InChI=1S/C20H25NO4/c1-14(21-15(2)22)10-18-19(23-3)11-17(12-20(18)24-4)25-13-16-8-6-5-7-9-16/h5-9,11-12,14H,10,13H2,1-4H3,(H,21,22) |
| InChIKey | CQYBLQILQZTNIE-UHFFFAOYSA-N |
| Mol Weight | 343.42 g/mol |
| Molecular Formula | C20H25NO4 |
| Exact Mass | 343.178358 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8szV40Aeoyh |
|---|---|
| Name | psi-Mbnm ac |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.178358285 u |
| Formula | C20H25NO4 |
| InChI | InChI=1S/C20H25NO4/c1-14(21-15(2)22)10-18-19(23-3)11-17(12-20(18)24-4)25-13-16-8-6-5-7-9-16/h5-9,11-12,14H,10,13H2,1-4H3,(H,21,22) |
| InChIKey | CQYBLQILQZTNIE-UHFFFAOYSA-N |
| Molecular Weight | 343.423 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)OCC=1C=CC=CC1)OC)CC(NC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882177 |