| SpectraBase Compound ID | 54wEsLJBNCm |
|---|---|
| InChI | InChI=1S/C6H3ClN2O5/c7-4-1-3(10)2-5(8(11)12)6(4)9(13)14/h1-2,10H |
| InChIKey | KPSABXZZQFNYMT-UHFFFAOYSA-N |
| Mol Weight | 218.55 g/mol |
| Molecular Formula | C6H3ClN2O5 |
| Exact Mass | 217.973049 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LCn9QRjYNJe |
|---|---|
| Name | 6-CHLORO-2,4-DINITROPHENOL;ISOMER-4 |
| Compound Number | 1298 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C6H3ClN2O5 |
| InChI | InChI=1S/C6H3ClN2O5/c7-4-1-3(10)2-5(8(11)12)6(4)9(13)14/h1-2,10H |
| InChIKey | KPSABXZZQFNYMT-UHFFFAOYSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 218.553 g/mol |
| Sample ID | 113 |
| Solvent | DMSO-D6 |