| SpectraBase Compound ID | Ct4JIqjayv8 |
|---|---|
| InChI | InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10) |
| InChIKey | AFPHTEQTJZKQAQ-UHFFFAOYSA-N |
| Mol Weight | 167.12 g/mol |
| Molecular Formula | C7H5NO4 |
| Exact Mass | 167.021858 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3RPHAw7ngJ1 |
|---|---|
| Name | BENZOIC ACID, 3-NITRO- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H5NO4 |
| InChI | InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10) |
| InChIKey | AFPHTEQTJZKQAQ-UHFFFAOYSA-N |
| Instrument Name | 311A |
| Molecular Weight | 167.0217 |
| SMILES | OC(=O)c1cc(N(=O)=O)ccc1 |
| SPLASH | splash10-014i-9500000000-4dbcd35067928a62a5fa |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |