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Benzonitrile, 4-[(2-oxo-2H-1-benzopyran-3-yl)carbonyl]-
SpectraBase Compound ID 7rfKmCBjXVH
InChI InChI=1S/C17H9NO3/c18-10-11-5-7-12(8-6-11)16(19)14-9-13-3-1-2-4-15(13)21-17(14)20/h1-9H
InChIKey FFMLOIJFSJDTTI-UHFFFAOYSA-N
Mol Weight 275.26 g/mol
Molecular Formula C17H9NO3
Exact Mass 275.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hdKOAfOQkx
Name Benzonitrile, 4-[(2-oxo-2H-1-benzopyran-3-yl)carbonyl]-
Alternate Name(s) 4-(2-ketochromene-3-carbonyl)benzonitrile 4-(2-oxidanylidenechromen-3-yl)carbonylbenzenecarbonitrile 4-(2-oxochromene-3-carbonyl)benzonitrile 4-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]benzonitrile
CAS Registry Number 77031-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H9NO3
InChI InChI=1S/C17H9NO3/c18-10-11-5-7-12(8-6-11)16(19)14-9-13-3-1-2-4-15(13)21-17(14)20/h1-9H
InChIKey FFMLOIJFSJDTTI-UHFFFAOYSA-N
Molecular Weight 275.263 g/mol
SMILES C=1(C(Oc2c(C1)cccc2)=O)C(c1ccc(C#N)cc1)=O
SPLASH splash10-0f92-0790000000-be8cc3cba28a289ea8a2
Source of Spectrum F-38-1209-0
Wiley ID 1279227