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7-Butoxy-5,8-bis(oxidanylidene)isoquinoline-1-carbonitrile
SpectraBase Compound ID ExoRhQDiSYt
InChI InChI=1S/C14H12N2O3/c1-2-3-6-19-12-7-11(17)9-4-5-16-10(8-15)13(9)14(12)18/h4-5,7H,2-3,6H2,1H3
InChIKey UOTJKEJUBMASCI-UHFFFAOYSA-N
Mol Weight 256.26 g/mol
Molecular Formula C14H12N2O3
Exact Mass 256.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lf7qOw8VLlz
Name 7-Butoxy-5,8-bis(oxidanylidene)isoquinoline-1-carbonitrile
Alternate Name(s) 7-Butoxy-5,8-diketo-isoquinoline-1-carbonitrile 7-Butoxy-5,8-dioxo-1-isoquinolinecarbonitrile 7-Butoxy-5,8-dioxo-isoquinoline-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N2O3
InChI InChI=1S/C14H12N2O3/c1-2-3-6-19-12-7-11(17)9-4-5-16-10(8-15)13(9)14(12)18/h4-5,7H,2-3,6H2,1H3
InChIKey UOTJKEJUBMASCI-UHFFFAOYSA-N
Molecular Weight 256.261 g/mol
SMILES c1(nccc2C(C=C(C(c12)=O)OCCCC)=O)C#N
SPLASH splash10-00di-0970000000-0cf7a8cd321a61a05dfc
Source of Spectrum E1-39-2258-40
Wiley ID 1519001