| SpectraBase Compound ID | HAyKxIsZn3L |
|---|---|
| InChI | InChI=1S/C15H11N3O8/c19-14(7-6-10-4-2-1-3-5-10)26-15-12(17(22)23)8-11(16(20)21)9-13(15)18(24)25/h1-5,8-9H,6-7H2 |
| InChIKey | WEDKQIHKPXDZPH-UHFFFAOYSA-N |
| Mol Weight | 361.27 g/mol |
| Molecular Formula | C15H11N3O8 |
| Exact Mass | 361.054614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GvXNg3bIXlZ |
|---|---|
| Name | 2,4,6-Trinitrophenyll-.beta.-phenylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.054614318 u |
| Formula | C15H11N3O8 |
| InChI | InChI=1S/C15H11N3O8/c19-14(7-6-10-4-2-1-3-5-10)26-15-12(17(22)23)8-11(16(20)21)9-13(15)18(24)25/h1-5,8-9H,6-7H2 |
| InChIKey | WEDKQIHKPXDZPH-UHFFFAOYSA-N |
| Molecular Weight | 361.266 g/mol |
| SMILES | C1=CC(=CC=C1)CCC(OC=1C(=CC(=CC1N(=O)=O)N(=O)=O)N(=O)=O)=O |