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Toltrazuril
SpectraBase Compound ID BzCWwdtvpnM
InChI InChI=1S/C18H14F3N3O4S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)28-12-4-6-13(7-5-12)29-18(19,20)21/h3-9H,1-2H3,(H,22,25,26)
InChIKey OCINXEZVIIVXFU-UHFFFAOYSA-N
Mol Weight 425.38 g/mol
Molecular Formula C18H14F3N3O4S
Exact Mass 425.065712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5P8pNMXn16n
Name Toltrazuril
Catalog Number 20767
CAS Registry Number 69004-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14F3N3O4S
InChI InChI=1S/C18H14F3N3O4S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)28-12-4-6-13(7-5-12)29-18(19,20)21/h3-9H,1-2H3,(H,22,25,26)
InChIKey OCINXEZVIIVXFU-UHFFFAOYSA-N
Molecular Weight 425.382 g/mol
SMILES N1C(N(C(N(c2ccc(Oc3ccc(SC(F)(F)F)cc3)c(c2)C)C1=O)=O)C)=O
SPLASH splash10-004i-8954600000-9b0af211e9e7c845dbc3
Source of Spectrum CAY-2023-486-0
Wiley ID 1888449