| SpectraBase Compound ID | E3AI1gLbTHy |
|---|---|
| InChI | InChI=1S/C7H6N4S/c12-7-9-6(10-11-7)5-1-3-8-4-2-5/h1-4H,(H2,9,10,11,12) |
| InChIKey | PBTAXYKMCKLQSM-UHFFFAOYSA-N |
| Mol Weight | 178.21 g/mol |
| Molecular Formula | C7H6N4S |
| Exact Mass | 178.031317 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | MeTydC5r4d |
|---|---|
| Name | PBTAXYKMCKLQSM-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C7H6N4S |
| InChI | InChI=1S/C7H6N4S/c12-7-9-6(10-11-7)5-1-3-8-4-2-5/h1-4H,(H2,9,10,11,12) |
| InChIKey | PBTAXYKMCKLQSM-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 178.211 g/mol |
| Source File Reference | MHKO6572 |