| SpectraBase Compound ID | Iz25KbrTsRp |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-3-4-9-18-13(16)12(15)14-10-7-5-6-8-11(10)17-2/h5-8H,3-4,9H2,1-2H3,(H,14,15) |
| InChIKey | LPIITQSVOUEBDG-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 | DQ42QX2GRSV |
|---|---|
| Name | Oxalic acid, monoamide, N-(2-methoxyphenyl)-, butyl ester |
| 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/c1-3-4-9-18-13(16)12(15)14-10-7-5-6-8-11(10)17-2/h5-8H,3-4,9H2,1-2H3,(H,14,15) |
| InChIKey | LPIITQSVOUEBDG-UHFFFAOYSA-N |
| Molecular Weight | 251.282 g/mol |
| SMILES | C(COC(C(=O)NC1=C(OC)C=CC=C1)=O)CC |