![1,2-Benzenedicarbonitrile, 4-nitro-5-[[(octahydro-2H-quinolizin-4-yl)methyl]amino]-](/api/spectrum/B47ZexFzRIG/structure.png?h=300&w=458 "1,2-Benzenedicarbonitrile, 4-nitro-5-[[(octahydro-2H-quinolizin-4-yl)methyl]amino]-")
| SpectraBase Compound ID | 13KOx55nYIU |
|---|---|
| InChI | InChI=1S/C18H21N5O2/c19-10-13-8-17(18(23(24)25)9-14(13)11-20)21-12-16-6-3-5-15-4-1-2-7-22(15)16/h8-9,15-16,21H,1-7,12H2 |
| InChIKey | TWZKYQDKKNQNIW-UHFFFAOYSA-N |
| Mol Weight | 339.4 g/mol |
| Molecular Formula | C18H21N5O2 |
| Exact Mass | 339.169525 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B47ZexFzRIG |
|---|---|
| Name | 1,2-Benzenedicarbonitrile, 4-nitro-5-[[(octahydro-2H-quinolizin-4-yl)methyl]amino]- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H21N5O2 |
| InChI | InChI=1S/C18H21N5O2/c19-10-13-8-17(18(23(24)25)9-14(13)11-20)21-12-16-6-3-5-15-4-1-2-7-22(15)16/h8-9,15-16,21H,1-7,12H2 |
| InChIKey | TWZKYQDKKNQNIW-UHFFFAOYSA-N |
| Molecular Weight | 339.399 g/mol |
| SMILES | N(c1cc(c(cc1N(=O)=O)C#N)C#N)CC1N2C(CCC1)CCCC2 |
| SPLASH | splash10-0udi-5900000000-738af8fbff92e75a4310 |
| Source of Spectrum | IY-1-4472-0 |
| Synonyms | 4-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ylmethylamino)-5-nitrobenzene-1,2-dicarbonitrile 4-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ylmethylamino)-5-nitro-phthalonitrile 4-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-ylmethylamino)-5-nitro-benzene-1,2-dicarbonitrile |
| Wiley ID | 1652703 |