| SpectraBase Compound ID | 1cAdH4NDHwd |
|---|---|
| InChI | InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12) |
| InChIKey | WJJMNDUMQPNECX-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 | K79UPNvzkfv |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H5NO2 |
| InChI | InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12) |
| InChIKey | WJJMNDUMQPNECX-UHFFFAOYSA-N |
| Molecular Weight | 167.0217 |
| SMILES | OC(c1nc(C(O)=O)ccc1)=O |
| SPLASH | splash10-0zi0-9400000000-f2b0da1385d5a90c21ac |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |