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[ALPHA-(7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YLOXY)-BENZYLIDENE]-PROPANEDINITRILE
SpectraBase Compound ID EHpq9yo9bFZ
InChI InChI=1S/C17H10N2O2/c18-11-14(12-19)17(13-7-3-1-4-8-13)21-16-10-6-2-5-9-15(16)20/h1-10H
InChIKey WZBDGYGZSMVVRR-UHFFFAOYSA-N
Mol Weight 274.28 g/mol
Molecular Formula C17H10N2O2
Exact Mass 274.074228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 159vR81G96k
Name 2-[(7-ketocyclohepta-1,3,5-trien-1-yl)oxy-phenyl-methylene]malononitrile
Alternate Name(s) 2-[(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)oxy-phenyl-methylidene]propanedinitrile 2-[(7-oxo-1-cyclohepta-1,3,5-trienyl)oxy-phenylmethylidene]propanedinitrile 2-[(7-oxocyclohepta-1,3,5-trien-1-yl)oxy-phenyl-methylene]propanedinitrile 2-[(7-oxocyclohepta-1,3,5-trien-1-yl)oxy-phenylmethylidene]propanedinitrile
CAS Registry Number 107129-13-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10N2O2
InChI InChI=1S/C17H10N2O2/c18-11-14(12-19)17(13-7-3-1-4-8-13)21-16-10-6-2-5-9-15(16)20/h1-10H
InChIKey WZBDGYGZSMVVRR-UHFFFAOYSA-N
Molecular Weight 274.279 g/mol
SMILES C(=C(C#N)C#N)(OC=1C(C=CC=CC1)=O)c1ccccc1
SPLASH splash10-0a4i-0940000000-a8b08803037ea158def1
Source of Spectrum K-122-662-10
Wiley ID 1278362