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3-O-Benzoylglutaronitrile
SpectraBase Compound ID 7seWdK5Wi47
InChI InChI=1S/C12H10N2O2/c13-8-6-11(7-9-14)16-12(15)10-4-2-1-3-5-10/h1-5,11H,6-7H2
InChIKey ALRNVXTYQVFJLL-UHFFFAOYSA-N
Mol Weight 214.22 g/mol
Molecular Formula C12H10N2O2
Exact Mass 214.074228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XBvXDc64iv
Name 3-O-Benzoylglutaronitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O2
InChI InChI=1S/C12H10N2O2/c13-8-6-11(7-9-14)16-12(15)10-4-2-1-3-5-10/h1-5,11H,6-7H2
InChIKey ALRNVXTYQVFJLL-UHFFFAOYSA-N
Molecular Weight 214.224 g/mol
SMILES C(OC(CC#N)CC#N)(=O)c1ccccc1
SPLASH splash10-0ab9-1920000000-620db682ffd3d9c6ef21
Source of Spectrum QC-4-1098-11
Synonyms benzoic acid 1,3-dicyanopropan-2-yl ester [2-cyano-1-(cyanomethyl)ethyl] benzoate 1,3-Dicyanopropan-2-yl benzoate
Wiley ID 883294