| SpectraBase Compound ID | 4eLeLpaua2y |
|---|---|
| InChI | InChI=1S/C15H19NO5/c1-9(16-10(2)17)15(21-12(4)19)13-5-7-14(8-6-13)20-11(3)18/h5-9,15H,1-4H3,(H,16,17) |
| InChIKey | BJUQYUMOOXIYBD-UHFFFAOYSA-N |
| Mol Weight | 293.32 g/mol |
| Molecular Formula | C15H19NO5 |
| Exact Mass | 293.126323 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dx1XMTAxsFo |
|---|---|
| Name | Norephedrine-m (ho-) 3ac @P862 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.126322711 u |
| Formula | C15H19NO5 |
| InChI | InChI=1S/C15H19NO5/c1-9(16-10(2)17)15(21-12(4)19)13-5-7-14(8-6-13)20-11(3)18/h5-9,15H,1-4H3,(H,16,17) |
| InChIKey | BJUQYUMOOXIYBD-UHFFFAOYSA-N |
| SMILES | C(C(NC(=O)C)C)(OC(=O)C)C=1C=CC(OC(=O)C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936978 |