| SpectraBase Compound ID | C4VTGjPPbn |
|---|---|
| InChI | InChI=1S/C16H14N2O6/c1-23-15(19)11-5-3-4-6-13(11)17-14-8-7-10(18(21)22)9-12(14)16(20)24-2/h3-9,17H,1-2H3 |
| InChIKey | BEHRUVSJZRBPNB-UHFFFAOYSA-N |
| Mol Weight | 330.3 g/mol |
| Molecular Formula | C16H14N2O6 |
| Exact Mass | 330.085186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8DxNWtvY8fB |
|---|---|
| Name | 5-Nitro-2,2'-iminodibenzoic acid, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.085186173 u |
| Formula | C16H14N2O6 |
| InChI | InChI=1S/C16H14N2O6/c1-23-15(19)11-5-3-4-6-13(11)17-14-8-7-10(18(21)22)9-12(14)16(20)24-2/h3-9,17H,1-2H3 |
| InChIKey | BEHRUVSJZRBPNB-UHFFFAOYSA-N |
| Molecular Weight | 330.296 g/mol |
| SMILES | N(C=1C(=CC=CC1)C(=O)OC)C1=C(C=C(C=C1)N(=O)=O)C(OC)=O |