| SpectraBase Compound ID | Hfw5N8W4oKp |
|---|---|
| InChI | InChI=1S/C9H5NO2/c11-8-2-1-6-3-4-10-5-7(6)9(8)12/h1-5H |
| InChIKey | VSKMLHCMQGPBLG-UHFFFAOYSA-N |
| Mol Weight | 159.14 g/mol |
| Molecular Formula | C9H5NO2 |
| Exact Mass | 159.032028 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DgFAsCDDNCr |
|---|---|
| Name | 7,8-Isoquinolinedione |
| Alternate Name(s) | isoquinoline-7,8-dione isoquinoline-7,8-quinone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H5NO2 |
| InChI | InChI=1S/C9H5NO2/c11-8-2-1-6-3-4-10-5-7(6)9(8)12/h1-5H |
| InChIKey | VSKMLHCMQGPBLG-UHFFFAOYSA-N |
| Molecular Weight | 159.144 g/mol |
| SMILES | c1nccc2C=CC(C(c12)=O)=O |
| SPLASH | splash10-0zfr-0900000000-7d66f4cb0d644780a70c |
| Source of Spectrum | E1-39-2259-14 |
| Wiley ID | 1519000 |