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Fluobutracil
SpectraBase Compound ID 22POqhcwJ2a
InChI InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3
InChIKey JEDYYFXHPAIBGR-UHFFFAOYSA-N
Mol Weight 474.82 g/mol
Molecular Formula C20H18ClF3N2O6
Exact Mass 474.080548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFRS1xjf2u0
Name Butafenacil
CAS Registry Number 134605-64-4
Classification Herbicide
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 474.080548491 u
Formula C20H18ClF3N2O6
InChI InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3
InChIKey JEDYYFXHPAIBGR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 474.820 g/mol
Nominal Mass 474 u
Quality 997
Retention Index 3475
SMILES C=1(N2C(N(C(C(F)(F)F)=CC2=O)C)=O)C=C(C(OC(C(OCC=C)=O)(C)C)=O)C(=CC1)Cl
SPLASH splash10-001i-2709000000-2681da01facb3701e704
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-Methyl-1-oxo-1-(prop-2-en-1-yloxy)propan-2-yl 2-chloro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-\r3,6-dihydropyrimidin-1(2H)-yl)benzoate
Technique GC/MS
Wiley ID DD2024_031374