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3-(Benzo[d][1,3]dioxol-5-yl)-[1,1'-biphenyl]-4-carbonitrile
SpectraBase Compound ID LudSwrMTqT5
InChI InChI=1S/C20H13NO2/c21-12-17-7-6-15(14-4-2-1-3-5-14)10-18(17)16-8-9-19-20(11-16)23-13-22-19/h1-11H,13H2
InChIKey MDXKEMUSKONNMT-UHFFFAOYSA-N
Mol Weight 299.33 g/mol
Molecular Formula C20H13NO2
Exact Mass 299.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EugoZYobsZf
Name 3-(Benzo[d][1,3]dioxol-5-yl)-[1,1'-biphenyl]-4-carbonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.094628661 u
Formula C20H13NO2
InChI InChI=1S/C20H13NO2/c21-12-17-7-6-15(14-4-2-1-3-5-14)10-18(17)16-8-9-19-20(11-16)23-13-22-19/h1-11H,13H2
InChIKey MDXKEMUSKONNMT-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q or HEWLETT-PACKARD HP 6890-MSD 5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103700
Quality 59
Reported Formula C20H13NO2
SMILES C=1C=C(C=C(C=2C=C3C(=CC2)OCO3)C1C#N)C1=CC=CC=C1
SPLASH splash10-0002-0091000000-03503dc70a31cf6996ee
Source of Spectrum QE-28-SM55-4e (DOI: 10.1002/chem.202103700)
Wiley ID 1898233