| SpectraBase Compound ID | AH7l55a0Vry |
|---|---|
| InChI | InChI=1S/C20H20N4S/c21-10-12-1-3-15(4-2-12)18-11-25-20(22-18)24-23-19-16-6-13-5-14(8-16)9-17(19)7-13/h1-4,11,13-14,16-17H,5-9H2,(H,22,24)/b23-19-/t13-,14+,16-,17+ |
| InChIKey | UUXBKIWOFGAICU-RJESSCARSA-N |
| Mol Weight | 348.47 g/mol |
| Molecular Formula | C20H20N4S |
| Exact Mass | 348.140868 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1fJJ6Gxdqa |
|---|---|
| Name | 4-((2-Adamantanylidenehydrazinyl)thiazol-4-yl)benzonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H20N4S |
| InChI | InChI=1S/C20H20N4S/c21-10-12-1-3-15(4-2-12)18-11-25-20(22-18)24-23-19-16-6-13-5-14(8-16)9-17(19)7-13/h1-4,11,13-14,16-17H,5-9H2,(H,22,24)/b23-19-/t13-,14+,16-,17+ |
| InChIKey | UUXBKIWOFGAICU-RJESSCARSA-N |
| Instrument Name | Waters AutoSpec Premier |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1002/jhet.2364 |
| Molecular Weight | 348.468 g/mol |
| Reported Formula | C20H20N4S |
| SMILES | N(N=C1[C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H])c1scc(n1)-c1ccc(cc1)C#N |
| SPLASH | splash10-0f6t-3589000000-b5b4d0fbdf03b92ceddc |
| Source of Spectrum | Y-53-446-3e |
| Wiley ID | 1877658 |