| SpectraBase Compound ID | 1XZKBXFWhb7 |
|---|---|
| InChI | InChI=1S/C12H7ClN4O4/c13-8-1-3-9(4-2-8)14-15-11-6-5-10(16(18)19)7-12(11)17(20)21/h1-7H/b15-14+ |
| InChIKey | LFARGOPEADUZBM-CCEZHUSRSA-N |
| Mol Weight | 306.67 g/mol |
| Molecular Formula | C12H7ClN4O4 |
| Exact Mass | 306.015582 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9eoegNqtd3g |
|---|---|
| Name | 4'-Chloro-2,4-dinitroazobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.015582417 u |
| Formula | C12H7ClN4O4 |
| InChI | InChI=1S/C12H7ClN4O4/c13-8-1-3-9(4-2-8)14-15-11-6-5-10(16(18)19)7-12(11)17(20)21/h1-7H/b15-14+ |
| InChIKey | LFARGOPEADUZBM-CCEZHUSRSA-N |
| Molecular Weight | 306.665 g/mol |
| SMILES | C1(N(=O)=O)=CC(N(=O)=O)=CC=C1\N=N\C1=CC=C(C=C1)Cl |