Difenacoum

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Systematic / IUPAC Name: 3-[3-(4-Biphenylyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy-2H-chromen-2-one

ID: Reference3007

Other Names: Difenakum;
Diphenacoum;
Neosorex;
Neosorexa;
Ratak ; more

Formula: C31H24O3

Class: Pesticides/Herbicides

Spectral Data

Difenacoum mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 1571
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods APCI; NSI
Analyzers FT
Last Modification 3/17/2016 12:31:38 PM
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Identificators

InChI InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2
InChI Key FVQITOLOYMWVFU-UHFFFAOYSA-N
Canonical SMILES C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6
CAS 56073075
Splash
Other Names Difenakum;
Diphenacoum;
Neosorex;
Neosorexa;
Ratak;
3-[3-(4-Biphenylyl)-1,2,3,4-tetrahydro-1-naphthyl]-4-hydroxycoumarin ;
3-(3-Biphenyl-4-yl-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin;
Coumarin, 3-[3-(4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthyl]-4-hydroxy-

In Other Databases

Wikipedia Difenacoum
PubChem 54676884
ChemSpider 10469075
KEGG C16807