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

*Links on SpectraBase are not permalinks.
MALONONITRILE, 1-(1-CYCLOPENTEN-3-ON-1-YL)-1-(2,3-(E)-BIS[ETHOXYCARBONYL]-1,4-DIOXASPIRO[4.5]DEC-7-EN-8-YL)-
SpectraBase Compound ID JVqZYAEIFOB
InChI InChI=1S/C19H20N2O5.C3H6O2/c1-2-24-17(23)16-10-25-19(26-16)7-5-13(6-8-19)18(11-20,12-21)14-3-4-15(22)9-14;1-2-5-3-4/h5,9,16H,2-4,6-8,10H2,1H3;3H,2H2,1H3
InChIKey WYQOEUCCUXEUIL-UHFFFAOYSA-N
Mol Weight 430.46 g/mol
Molecular Formula C22H26N2O7
Exact Mass 430.174001 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 2O5a6gHL58O
Name MALONONITRILE, 1-(1-CYCLOPENTEN-3-ON-1-YL)-1-(2,3-(E)-BIS[ETHOXYCARBONYL]-1,4-DIOXASPIRO[4.5]DEC-7-EN-8-YL)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H24O7N2
InChI InChI=1S/C19H20N2O5.C3H6O2/c1-2-24-17(23)16-10-25-19(26-16)7-5-13(6-8-19)18(11-20,12-21)14-3-4-15(22)9-14;1-2-5-3-4/h5,9,16H,2-4,6-8,10H2,1H3;3H,2H2,1H3
InChIKey WYQOEUCCUXEUIL-UHFFFAOYSA-N
Molecular Weight 430.1733
SMILES C(OCC)=O.C(=O)(OCC)C1OC2(CC=C(C(C#N)(C#N)C=3CCC(=O)C3)CC2)OC1
SPLASH splash10-003r-9651100000-fe7726d4a3ccd0687f10
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany