| SpectraBase Compound ID | C4GqUSY2qyS |
|---|---|
| InChI | InChI=1S/C17H14N2O8/c20-16(26-14-8-4-12(5-9-14)18(22)23)2-1-3-17(21)27-15-10-6-13(7-11-15)19(24)25/h4-11H,1-3H2 |
| InChIKey | IOIJXIHQQRSQDS-UHFFFAOYSA-N |
| Mol Weight | 374.31 g/mol |
| Molecular Formula | C17H14N2O8 |
| Exact Mass | 374.075015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7AnYPNpajg9 |
|---|---|
| Name | Glutaric acid, di(4-nitrophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.075015411 u |
| Formula | C17H14N2O8 |
| InChI | InChI=1S/C17H14N2O8/c20-16(26-14-8-4-12(5-9-14)18(22)23)2-1-3-17(21)27-15-10-6-13(7-11-15)19(24)25/h4-11H,1-3H2 |
| InChIKey | IOIJXIHQQRSQDS-UHFFFAOYSA-N |
| Molecular Weight | 374.305 g/mol |
| SMILES | C(CCC(OC1=CC=C(C=C1)N(=O)=O)=O)C(OC1=CC=C(C=C1)N(=O)=O)=O |