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Benzenenonanenitrile, .beta.,.delta.,.zeta.,.theta.-tetraoxo-
SpectraBase Compound ID 3O2CwpdT5By
InChI InChI=1S/C15H13NO4/c16-7-6-12(17)8-13(18)9-14(19)10-15(20)11-4-2-1-3-5-11/h1-5H,6,8-10H2
InChIKey VTILTJOFIJQGBE-UHFFFAOYSA-N
Mol Weight 271.27 g/mol
Molecular Formula C15H13NO4
Exact Mass 271.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvFgjP8KXwY
Name Benzenenonanenitrile, .beta.,.delta.,.zeta.,.theta.-tetraoxo-
Alternate Name(s) 3,5,7,9-tetraoxo-9-phenylnonanenitrile 9-Phenyl-3,5,7,9-tetraoxononanenitrile
CAS Registry Number 115706-55-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NO4
InChI InChI=1S/C15H13NO4/c16-7-6-12(17)8-13(18)9-14(19)10-15(20)11-4-2-1-3-5-11/h1-5H,6,8-10H2
InChIKey VTILTJOFIJQGBE-UHFFFAOYSA-N
Molecular Weight 271.272 g/mol
SMILES C(CC(CC(CC(=O)CC#N)=O)=O)(=O)c1ccccc1
SPLASH splash10-0kmj-8790000000-b9714a19dec736eaa18b
Source of Spectrum C-110-6185-27
Wiley ID 1275265