| SpectraBase Compound ID | E4g3Opm01S |
|---|---|
| InChI | InChI=1S/C18H16N2O8/c21-17(27-15-9-5-13(6-10-15)19(23)24)3-1-2-4-18(22)28-16-11-7-14(8-12-16)20(25)26/h5-12H,1-4H2 |
| InChIKey | AQXGDGODCOTEIA-UHFFFAOYSA-N |
| Mol Weight | 388.33 g/mol |
| Molecular Formula | C18H16N2O8 |
| Exact Mass | 388.090665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7UdLUOLdfT2 |
|---|---|
| Name | p-Nitrophenyl adipate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.090665475 u |
| Formula | C18H16N2O8 |
| InChI | InChI=1S/C18H16N2O8/c21-17(27-15-9-5-13(6-10-15)19(23)24)3-1-2-4-18(22)28-16-11-7-14(8-12-16)20(25)26/h5-12H,1-4H2 |
| InChIKey | AQXGDGODCOTEIA-UHFFFAOYSA-N |
| Molecular Weight | 388.332 g/mol |
| SMILES | C1=C(C=CC(=C1)N(=O)=O)OC(=O)CCCCC(OC1=CC=C(C=C1)N(=O)=O)=O |