| SpectraBase Compound ID | KcCUXS5NHRQ |
|---|---|
| InChI | InChI=1S/C14H19NO4/c1-4-15-9-14(19-11(3)17)12-6-5-7-13(8-12)18-10(2)16/h5-8,14-15H,4,9H2,1-3H3 |
| InChIKey | ZJPMDNRSSREUAR-UHFFFAOYSA-N |
| Mol Weight | 265.31 g/mol |
| Molecular Formula | C14H19NO4 |
| Exact Mass | 265.131408 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | eUZcKWYb2t |
|---|---|
| Name | Etilefrine 2ac |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.131408092 u |
| Formula | C14H19NO4 |
| InChI | InChI=1S/C14H19NO4/c1-4-15-9-14(19-11(3)17)12-6-5-7-13(8-12)18-10(2)16/h5-8,14-15H,4,9H2,1-3H3 |
| InChIKey | ZJPMDNRSSREUAR-UHFFFAOYSA-N |
| Molecular Weight | 265.309 g/mol |
| SMILES | C1(C(CNCC)OC(=O)C)=CC(=CC=C1)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920537 |