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Flocoumafen
SpectraBase Compound ID C7tAJnIBbAZ
InChI InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2
InChIKey KKBGNYHHEIAGOH-UHFFFAOYSA-N
Mol Weight 542.6 g/mol
Molecular Formula C33H25F3O4
Exact Mass 542.170494 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8H6A8W9QiZM
Name Flocoumafen
CAS Registry Number 90035-08-8
Classification Rodenticide
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 542.170493770 u
Formula C33H25F3O4
InChI InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2
InChIKey KKBGNYHHEIAGOH-UHFFFAOYSA-N
Ionization Energy 70 eV
Ionization Type Negative Chemical Ionization (NCI)
Molecular Weight 542.554 g/mol
Nominal Mass 542 u
Quality 0
SMILES OC1=C(C2C=3C(CC(C2)C2=CC=C(C=C2)OCC2=CC=C(C(F)(F)F)C=C2)=CC=CC3)C(OC=2C1=CC=CC2)=O
SPLASH splash10-001i-0009000000-fffcd6541c6835f01191
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-Hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]tetralin-1-yl]chromen-4-one
Technique DI/MS
Wiley ID DD2024_001425