| SpectraBase Compound ID | 6Jg8jtebR6z |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-17-11-8-6-10(7-9-11)14-12(15)4-3-5-13(16)18-2/h6-9H,3-5H2,1-2H3,(H,14,15) |
| InChIKey | NXHHFUHAXKBRKV-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C13H17NO4 |
| Exact Mass | 251.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90pDGOUc0Ee |
|---|---|
| Name | Methyl N-(4-methoxyphenyl)amidoglutarate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.115758027 u |
| Formula | C13H17NO4 |
| InChI | InChI=1S/C13H17NO4/c1-17-11-8-6-10(7-9-11)14-12(15)4-3-5-13(16)18-2/h6-9H,3-5H2,1-2H3,(H,14,15) |
| InChIKey | NXHHFUHAXKBRKV-UHFFFAOYSA-N |
| Molecular Weight | 251.282 g/mol |
| SMILES | N(C(CCCC(OC)=O)=O)c1ccc(cc1)OC |