| SpectraBase Compound ID | FJaroOhrMRd |
|---|---|
| InChI | InChI=1S/C16H21NO5/c1-4-21-14(19)16(17-12(3)18,15(20)22-5-2)11-13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,17,18) |
| InChIKey | UIDUTRDHDVYKSF-UHFFFAOYSA-N |
| Mol Weight | 307.35 g/mol |
| Molecular Formula | C16H21NO5 |
| Exact Mass | 307.141973 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LXyYSVp7ABd |
|---|---|
| Name | Ethyl 2-acetamido-2-benzylmalonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.141972775 u |
| Formula | C16H21NO5 |
| InChI | InChI=1S/C16H21NO5/c1-4-21-14(19)16(17-12(3)18,15(20)22-5-2)11-13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,17,18) |
| InChIKey | UIDUTRDHDVYKSF-UHFFFAOYSA-N |
| Molecular Weight | 307.346 g/mol |
| SMILES | C(NC(C)=O)(C(=O)OCC)(C(OCC)=O)CC1=CC=CC=C1 |