| SpectraBase Compound ID | KA43jTCDf6U |
|---|---|
| InChI | InChI=1S/C12H13NO7/c1-2-19-11(14)7-18-8-12(15)20-10-5-3-9(4-6-10)13(16)17/h3-6H,2,7-8H2,1H3 |
| InChIKey | PMTHQAUIUHXPOO-UHFFFAOYSA-N |
| Mol Weight | 283.24 g/mol |
| Molecular Formula | C12H13NO7 |
| Exact Mass | 283.069202 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | mKLeQHf2ck |
|---|---|
| Name | Diglycolic acid, ethyl 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.069201756 u |
| Formula | C12H13NO7 |
| InChI | InChI=1S/C12H13NO7/c1-2-19-11(14)7-18-8-12(15)20-10-5-3-9(4-6-10)13(16)17/h3-6H,2,7-8H2,1H3 |
| InChIKey | PMTHQAUIUHXPOO-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCC)(=O)OC1=CC=C(C=C1)N(=O)=O |