| SpectraBase Compound ID | LAJ4cQiQlNP |
|---|---|
| InChI | InChI=1S/C16H15N3O4/c1-11-3-2-4-13(9-11)16(20)23-18-15(17)10-12-5-7-14(8-6-12)19(21)22/h2-9H,10H2,1H3,(H2,17,18) |
| InChIKey | BIEBYLJZXQGHFD-UHFFFAOYSA-N |
| Mol Weight | 313.31 g/mol |
| Molecular Formula | C16H15N3O4 |
| Exact Mass | 313.106256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7crT62pNBT |
|---|---|
| Name | (Z)-N-(3-Methylbenzoyloxy)-2-(4-nitrophenyl)acetic acid imide amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.106255971 u |
| Formula | C16H15N3O4 |
| InChI | InChI=1S/C16H15N3O4/c1-11-3-2-4-13(9-11)16(20)23-18-15(17)10-12-5-7-14(8-6-12)19(21)22/h2-9H,10H2,1H3,(H2,17,18) |
| InChIKey | BIEBYLJZXQGHFD-UHFFFAOYSA-N |
| SMILES | N\C(=N/OC(c1cc(C)ccc1)=O)Cc1ccc(N(=O)=O)cc1 |