![3-[(2,2-Dimethoxyethyl)amino]-1-(2-methoxyphenyl)but-2-en-1-one](/api/spectrum/CruYypIotHn/structure.png?h=300&w=458 "3-[(2,2-Dimethoxyethyl)amino]-1-(2-methoxyphenyl)but-2-en-1-one")
| SpectraBase Compound ID | 6A0QsdwIWKE |
|---|---|
| InChI | InChI=1S/C15H21NO4/c1-11(16-10-15(19-3)20-4)9-13(17)12-7-5-6-8-14(12)18-2/h5-9,15-16H,10H2,1-4H3/b11-9+ |
| InChIKey | BRCUGFGCJYFOTB-PKNBQFBNSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C15H21NO4 |
| Exact Mass | 279.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CruYypIotHn |
|---|---|
| Name | 3-[(2,2-Dimethoxyethyl)amino]-1-(2-methoxyphenyl)but-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.147058156 u |
| Formula | C15H21NO4 |
| InChI | InChI=1S/C15H21NO4/c1-11(16-10-15(19-3)20-4)9-13(17)12-7-5-6-8-14(12)18-2/h5-9,15-16H,10H2,1-4H3/b11-9+ |
| InChIKey | BRCUGFGCJYFOTB-PKNBQFBNSA-N |
| Molecular Weight | 279.336 g/mol |
| SMILES | C(\C=C/(NCC(OC)OC)C)(C=1C(OC)=CC=CC1)=O |