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5-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)-2-FURALDEHYDE, 4-(3,4-DICHLOROPHENYL)-3-THIOSEMICARBAZONE

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5-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)-2-FURALDEHYDE, 4-(3,4-DICHLOROPHENYL)-3-THIOSEMICARBAZONE
SpectraBase Compound ID AynNv0eIfEu
InChI InChI=1S/C20H11Cl2F6N3OS/c21-15-3-1-13(8-16(15)22)30-18(33)31-29-9-14-2-4-17(32-14)10-5-11(19(23,24)25)7-12(6-10)20(26,27)28/h1-9H,(H2,30,31,33)/b29-9+
InChIKey YSZXMNYTZZLKCT-GESPGMLMSA-N
Mol Weight 526.28 g/mol
Molecular Formula C20H11Cl2F6N3OS
Exact Mass 524.990408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Ib170ENSVw
Name 5-(A,A,A,A',A',A'-Hexafluoro-3,5-xylyl)-2-furaldehyde, 4-(3,4-dichlorophenyl)-3-thiosemicarbazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.990407537 u
Formula C20H11Cl2F6N3OS
InChI InChI=1S/C20H11Cl2F6N3OS/c21-15-3-1-13(8-16(15)22)30-18(33)31-29-9-14-2-4-17(32-14)10-5-11(19(23,24)25)7-12(6-10)20(26,27)28/h1-9H,(H2,30,31,33)/b29-9+
InChIKey YSZXMNYTZZLKCT-GESPGMLMSA-N
Molecular Weight 526.284 g/mol
SMILES N(\N=C\C1=CC=C(C=2C=C(C=C(C2)C(F)(F)F)C(F)(F)F)O1)C(NC=1C=C(C(=CC1)Cl)Cl)=S