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Difenacoum ME
SpectraBase Compound ID BvxJmWQgmqN
InChI InChI=1S/C32H26O3/c1-34-31-27-13-7-8-14-29(27)35-32(33)30(31)28-20-25(19-24-11-5-6-12-26(24)28)23-17-15-22(16-18-23)21-9-3-2-4-10-21/h2-18,25,28H,19-20H2,1H3
InChIKey GYJIUMHYHNPQHX-UHFFFAOYSA-N
Mol Weight 458.6 g/mol
Molecular Formula C32H26O3
Exact Mass 458.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1F2IEQHcHII
Name Difenacoum ME
Classification Rodenticide
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 458.188194694 u
Formula C32H26O3
InChI InChI=1S/C32H26O3/c1-34-31-27-13-7-8-14-29(27)35-32(33)30(31)28-20-25(19-24-11-5-6-12-26(24)28)23-17-15-22(16-18-23)21-9-3-2-4-10-21/h2-18,25,28H,19-20H2,1H3
InChIKey GYJIUMHYHNPQHX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 458.557 g/mol
Nominal Mass 458 u
Quality 916
Retention Index 3550
SMILES C1(C2C=3C(CC(C2)C=2C=CC(C4=CC=CC=C4)=CC2)=CC=CC3)=C(C=2C(OC1=O)=CC=CC2)OC
SPLASH splash10-0pb9-0695400000-fa0a416446cae6bb340c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-(3-([1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methoxy-2H-chromen-2-one
Technique GC/MS
Wiley ID DD2024_000934