| SpectraBase Compound ID | 2jcsZfx7SSS |
|---|---|
| InChI | InChI=1S/C12H9N5O/c18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H2,13,14,15,16,17,18) |
| InChIKey | QQJXZVKXNSFHRI-UHFFFAOYSA-N |
| Mol Weight | 239.24 g/mol |
| Molecular Formula | C12H9N5O |
| Exact Mass | 239.08071 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EgPuukG7zhg |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H9N5O |
| InChI | InChI=1S/C12H9N5O/c18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H2,13,14,15,16,17,18) |
| InChIKey | QQJXZVKXNSFHRI-UHFFFAOYSA-N |
| Molecular Weight | 239.0806 |
| SMILES | N(C(c1ccccc1)=O)c1ncnc2[nH]cnc12 |
| SPLASH | splash10-0a6r-9740000000-b00610c373b44a436a12 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |