| SpectraBase Compound ID | 10Rkw3lKqns |
|---|---|
| InChI | InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13) |
| InChIKey | NBDAHKQJXVLAID-UHFFFAOYSA-N |
| Mol Weight | 211.13 g/mol |
| Molecular Formula | C8H5NO6 |
| Exact Mass | 211.011687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BOGfjUX3jgS |
|---|---|
| Name | 5-Nitro-1,3-benzenedicarboxylic acid |
| CAS Registry Number | 618-88-2 |
| Comments | ZSU-5787, CALCIUM SALT |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H5NO6 |
| InChI | InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13) |
| InChIKey | NBDAHKQJXVLAID-UHFFFAOYSA-N |
| Instrument Name | Bruker WM-250 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CF3COOH |