| SpectraBase Compound ID | IpEjDlg2SQU |
|---|---|
| InChI | InChI=1S/C8H7NO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13) |
| InChIKey | LDOMKUVUXZRECL-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 | E1Pbn7GnytV |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H7NO4 |
| InChI | InChI=1S/C8H7NO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13) |
| InChIKey | LDOMKUVUXZRECL-UHFFFAOYSA-N |
| Molecular Weight | 181.0373 |
| SMILES | OC(c1cccc(c1N)C(O)=O)=O |
| SPLASH | splash10-02u3-9800000000-43ecdd6612b5f1fbceb2 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |