| SpectraBase Compound ID | 4NWjFGXfdN2 |
|---|---|
| InChI | InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11) |
| InChIKey | YBADLXQNJCMBKR-UHFFFAOYSA-N |
| Mol Weight | 181.15 g/mol |
| Molecular Formula | C8H7NO4 |
| Exact Mass | 181.037508 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5sKWqrVd0Rs |
|---|---|
| Name | BENZENEACETIC ACID, 4-NITRO- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H7O4N |
| InChI | InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11) |
| InChIKey | YBADLXQNJCMBKR-UHFFFAOYSA-N |
| Instrument Name | CH5 |
| Molecular Weight | 181.0373 |
| SMILES | OC(=O)Cc1ccc(N(=O)=O)cc1 |
| SPLASH | splash10-005l-9400000000-2741da82fcb9bf95a274 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |