| SpectraBase Compound ID | 6YFFf3Q18Hl |
|---|---|
| InChI | InChI=1S/C16H13N3O5/c1-11(20)17-14-7-3-12(4-8-14)2-5-13-6-9-15(18(21)22)10-16(13)19(23)24/h2-10H,1H3,(H,17,20) |
| InChIKey | GAJCIVNAHXTWQY-UHFFFAOYSA-N |
| Mol Weight | 327.3 g/mol |
| Molecular Formula | C16H13N3O5 |
| Exact Mass | 327.085521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4FcXaseFC5E |
|---|---|
| Name | 4'-(2,4-Dinitrostyryl)acetanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.085520526 u |
| Formula | C16H13N3O5 |
| InChI | InChI=1S/C16H13N3O5/c1-11(20)17-14-7-3-12(4-8-14)2-5-13-6-9-15(18(21)22)10-16(13)19(23)24/h2-10H,1H3,(H,17,20) |
| InChIKey | GAJCIVNAHXTWQY-UHFFFAOYSA-N |
| Molecular Weight | 327.296 g/mol |
| SMILES | N(C=1C=CC(C=CC=2C(=CC(=CC2)N(=O)=O)N(=O)=O)=CC1)C(C)=O |