For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(3,5-Dioxopyrazolidine-1-carbonyl)-3,4-di(furan-2-yl)-4-oxobutanenitrile
SpectraBase Compound ID J85TdRpj2A1
InChI InChI=1S/C16H11N3O6/c17-8-9(16(23)19-13(21)7-12(20)18-19)14(10-3-1-5-24-10)15(22)11-4-2-6-25-11/h1-6,9,14H,7H2,(H,18,20)
InChIKey ZDTTWJRLOYYTLT-UHFFFAOYSA-N
Mol Weight 341.28 g/mol
Molecular Formula C16H11N3O6
Exact Mass 341.064785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID al8iudBt2G
Name 2-(3,5-Dioxopyrazolidine-1-carbonyl)-3,4-di(furan-2-yl)-4-oxobutanenitrile
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N3O6
InChI InChI=1S/C16H11N3O6/c17-8-9(16(23)19-13(21)7-12(20)18-19)14(10-3-1-5-24-10)15(22)11-4-2-6-25-11/h1-6,9,14H,7H2,(H,18,20)
InChIKey ZDTTWJRLOYYTLT-UHFFFAOYSA-N
Instrument Name Shimadzu GC??MS QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3398
Molecular Weight 341.279 g/mol
SMILES N1C(CC(N1C(=O)C(C#N)C(C(=O)c1ccco1)c1occc1)=O)=O
SPLASH splash10-0pdi-9460000000-b8115984893bdaacd8f7
Source of Spectrum Y-56-224-13
Wiley ID 1859283