| SpectraBase Compound ID | 7rkrmPLAV5F |
|---|---|
| InChI | InChI=1S/C16H17NO4/c1-12(18)17(13(2)19)15(16(20)21-3)11-7-10-14-8-5-4-6-9-14/h4-11H,1-3H3/b10-7+,15-11- |
| InChIKey | COPVDUXVFSWHMG-XGQUATGFSA-N |
| Mol Weight | 287.31 g/mol |
| Molecular Formula | C16H17NO4 |
| Exact Mass | 287.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ArnbhLbKHps |
|---|---|
| Name | 2,4-Pentadienoic acid, 2-(diacetylamino)-5-phenyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.115758027 u |
| Formula | C16H17NO4 |
| InChI | InChI=1S/C16H17NO4/c1-12(18)17(13(2)19)15(16(20)21-3)11-7-10-14-8-5-4-6-9-14/h4-11H,1-3H3/b10-7+,15-11- |
| InChIKey | COPVDUXVFSWHMG-XGQUATGFSA-N |
| SMILES | C(\C(N(C(=O)C)C(=O)C)=C\C=C\C=1C=CC=CC1)(=O)OC |