![Ethyl {2-[2-amino-1-cyano-2-(piperidin-1-yl)vinyl] diazenyl}-4-methyl-5-(phenyl carbamoyl)thiophene-3-carboxylate](/api/spectrum/4FTF41dttZp/structure.png?h=300&w=458 "Ethyl {2-[2-amino-1-cyano-2-(piperidin-1-yl)vinyl] diazenyl}-4-methyl-5-(phenyl carbamoyl)thiophene-3-carboxylate")
| SpectraBase Compound ID | Gh5byT4Rblu |
|---|---|
| InChI | InChI=1S/C23H26N6O3S/c1-3-32-23(31)18-15(2)19(21(30)26-16-10-6-4-7-11-16)33-22(18)28-27-17(14-24)20(25)29-12-8-5-9-13-29/h4,6-7,10-11H,3,5,8-9,12-13,25H2,1-2H3,(H,26,30) |
| InChIKey | QKKFZBYCWFWZSQ-UHFFFAOYSA-N |
| Mol Weight | 466.56 g/mol |
| Molecular Formula | C23H26N6O3S |
| Exact Mass | 466.17871 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4FTF41dttZp |
|---|---|
| Name | Ethyl {2-[2-amino-1-cyano-2-(piperidin-1-yl)vinyl] diazenyl}-4-methyl-5-(phenyl carbamoyl)thiophene-3-carboxylate |
| Appearance | Red crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H26N6O3S |
| InChI | InChI=1S/C23H26N6O3S/c1-3-32-23(31)18-15(2)19(21(30)26-16-10-6-4-7-11-16)33-22(18)28-27-17(14-24)20(25)29-12-8-5-9-13-29/h4,6-7,10-11H,3,5,8-9,12-13,25H2,1-2H3,(H,26,30) |
| InChIKey | QKKFZBYCWFWZSQ-UHFFFAOYSA-N |
| Instrument Name | Finnegan MAT 212 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jhet.2622 |
| Molecular Weight | 466.560 g/mol |
| SMILES | N(C(c1c(c(c(N=NC(=C(N2CCCCC2)N)C#N)s1)C(OCC)=O)C)=O)c1ccccc1 |
| SPLASH | splash10-0pi0-3952300000-61304311c96cd0426a55 |
| Source of Spectrum | Y-54-566-9 |
| Wiley ID | 1880708 |