| SpectraBase Compound ID | 5Hg2dhEpu6h |
|---|---|
| InChI | InChI=1S/C12H10N2O5/c13-10(17)8(5-9(15)16)14-11(18)6-3-1-2-4-7(6)12(14)19/h1-4,8H,5H2,(H2,13,17)(H,15,16) |
| InChIKey | MDSIETQYLAUSDW-UHFFFAOYSA-N |
| Mol Weight | 262.22 g/mol |
| Molecular Formula | C12H10N2O5 |
| Exact Mass | 262.058971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0jsV1mBdPF |
|---|---|
| Name | N-Phthaloyl-isoasparagine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.058971425 u |
| Formula | C12H10N2O5 |
| InChI | InChI=1S/C12H10N2O5/c13-10(17)8(5-9(15)16)14-11(18)6-3-1-2-4-7(6)12(14)19/h1-4,8H,5H2,(H2,13,17)(H,15,16) |
| InChIKey | MDSIETQYLAUSDW-UHFFFAOYSA-N |
| Molecular Weight | 262.221 g/mol |
| SMILES | C1=CC=CC2=C1C(=O)N(C2=O)C(CC(O)=O)C(=O)N |