| SpectraBase Compound ID | 6pCaOBotVTN |
|---|---|
| InChI | InChI=1S/C12H6N6S/c13-5-7-9(6-14)17-18(11(7)15)12-16-8-3-1-2-4-10(8)19-12/h1-4H,15H2 |
| InChIKey | AEFBZBBOXYZMCQ-UHFFFAOYSA-N |
| Mol Weight | 266.28 g/mol |
| Molecular Formula | C12H6N6S |
| Exact Mass | 266.037465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6IriV4Q2L6w |
|---|---|
| Name | 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-(2-benzothiazolyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.037465391 u |
| Formula | C12H6N6S |
| InChI | InChI=1S/C12H6N6S/c13-5-7-9(6-14)17-18(11(7)15)12-16-8-3-1-2-4-10(8)19-12/h1-4H,15H2 |
| InChIKey | AEFBZBBOXYZMCQ-UHFFFAOYSA-N |
| SMILES | NC=1N(C2=NC=3C=CC=CC3S2)N=C(C#N)C1C#N |