![2-Butenedinitrile, 2-amino-3-[[[4-(dimethylamino)phenyl]methylene]amino]-](/api/spectrum/GwPoJOadpUJ/structure.png?h=300&w=458 "2-Butenedinitrile, 2-amino-3-[[[4-(dimethylamino)phenyl]methylene]amino]-")
| SpectraBase Compound ID | 7F0w2mK2oDq |
|---|---|
| InChI | InChI=1S/C13H13N5/c1-18(2)11-5-3-10(4-6-11)9-17-13(8-15)12(16)7-14/h3-6,9H,16H2,1-2H3/b13-12+,17-9+ |
| InChIKey | QPBXVINHXQCKKI-HPKYLUPNSA-N |
| Mol Weight | 239.28 g/mol |
| Molecular Formula | C13H13N5 |
| Exact Mass | 239.117095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GwPoJOadpUJ |
|---|---|
| Name | 2-Butenedinitrile, 2-amino-3-[[[4-(dimethylamino)phenyl]methylene]amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.117095439 u |
| Formula | C13H13N5 |
| InChI | InChI=1S/C13H13N5/c1-18(2)11-5-3-10(4-6-11)9-17-13(8-15)12(16)7-14/h3-6,9H,16H2,1-2H3/b13-12+,17-9+ |
| InChIKey | QPBXVINHXQCKKI-HPKYLUPNSA-N |
| Molecular Weight | 239.282 g/mol |
| SMILES | C(\C(=C\(\N=C\C=1C=CC(=CC1)N(C)C)C#N)N)#N |