![bis([(2-acetyl-3-oxobut-1-en-1-yl)[(pyridin-2-yl)methyl]amino]zincio acetate)](/api/spectrum/65XQB8vbPw9/structure.png?h=300&w=458 "bis([(2-acetyl-3-oxobut-1-en-1-yl)[(pyridin-2-yl)methyl]amino]zincio acetate)")
| SpectraBase Compound ID | 5AGvA6lSy2b |
|---|---|
| InChI | InChI=1S/2C12H14N2O2.2C2H4O2.2Zn/c2*1-9(15)12(10(2)16)8-13-7-11-5-3-4-6-14-11;2*1-2(3)4;;/h2*3-6,8H,7H2,1-2H3,(H,13,15,16);2*1H3,(H,3,4);;/q;;;;2*+2/p-4 |
| InChIKey | PNEJHNDTSDAIMX-UHFFFAOYSA-J |
| Mol Weight | 683.35 g/mol |
| Molecular Formula | C28H32N4O8Zn2 |
| Exact Mass | 680.080298 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 65XQB8vbPw9 |
|---|---|
| Name | bis([(2-acetyl-3-oxobut-1-en-1-yl)[(pyridin-2-yl)methyl]amino]zincio acetate) |
| Appearance | White crystalline powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H32N4O8Zn2 |
| InChI | InChI=1S/2C12H14N2O2.2C2H4O2.2Zn/c2*1-9(15)12(10(2)16)8-13-7-11-5-3-4-6-14-11;2*1-2(3)4;;/h2*3-6,8H,7H2,1-2H3,(H,13,15,16);2*1H3,(H,3,4);;/q;;;;2*+2/p-4 |
| InChIKey | PNEJHNDTSDAIMX-UHFFFAOYSA-J |
| Instrument Name | Finnigan MAT-8500 |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1002/open.201900199 |
| Molecular Weight | 683.348 g/mol |
| SMILES | C(N([Zn]OC(C)=O)Cc1ncccc1)=C(C(=O)C)C(C)=O.CC(=O)C(C(C)=O)=CN(Cc1ccccn1)[Zn]OC(C)=O |
| SPLASH | splash10-001l-5090000000-0afc0f274fd44084eab0 |
| Source of Spectrum | CHO-8-1024-2 |
| Wiley ID | 1838731 |