| SpectraBase Compound ID | JOd6ihVqFrf |
|---|---|
| InChI | InChI=1S/C16H14N2O4/c1-11-6-5-9-13(10-11)22-16(21)18-15(20)17-14(19)12-7-3-2-4-8-12/h2-10H,1H3,(H2,17,18,19,20,21) |
| InChIKey | CGSDIWWBRSPATH-UHFFFAOYSA-N |
| Mol Weight | 298.3 g/mol |
| Molecular Formula | C16H14N2O4 |
| Exact Mass | 298.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6MSzJR1rwWU |
|---|---|
| Name | Allophanic acid, 4-benzoyl-, m-tolyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.095356935 u |
| Formula | C16H14N2O4 |
| InChI | InChI=1S/C16H14N2O4/c1-11-6-5-9-13(10-11)22-16(21)18-15(20)17-14(19)12-7-3-2-4-8-12/h2-10H,1H3,(H2,17,18,19,20,21) |
| InChIKey | CGSDIWWBRSPATH-UHFFFAOYSA-N |
| Molecular Weight | 298.298 g/mol |
| SMILES | C1=CC(C(NC(NC(OC2=CC(C)=CC=C2)=O)=O)=O)=CC=C1 |