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4-(2,6-difluorophenyl)-1-[(3-chlorophenyl)carbonyl]thiosemicarbazide
SpectraBase Compound ID FV4TsCmOldR
InChI InChI=1S/C14H10ClF2N3OS/c15-9-4-1-3-8(7-9)13(21)19-20-14(22)18-12-10(16)5-2-6-11(12)17/h1-7H,(H,19,21)(H2,18,20,22)
InChIKey AYKLTOXTRAXDGM-UHFFFAOYSA-N
Mol Weight 341.76 g/mol
Molecular Formula C14H10ClF2N3OS
Exact Mass 341.020117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4W3LqzBSvA
Name 4-(2,6-difluorophenyl)-1-[(3-chlorophenyl)carbonyl]thiosemicarbazide
Alternate Name(s) 1-[[(3-chlorophenyl)-oxomethyl]amino]-3-(2,6-difluorophenyl)thiourea 1-[2,6-bis(fluoranyl)phenyl]-3-[(3-chlorophenyl)carbonylamino]thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10ClF2N3OS
InChI InChI=1S/C14H10ClF2N3OS/c15-9-4-1-3-8(7-9)13(21)19-20-14(22)18-12-10(16)5-2-6-11(12)17/h1-7H,(H,19,21)(H2,18,20,22)
InChIKey AYKLTOXTRAXDGM-UHFFFAOYSA-N
Molecular Weight 341.764 g/mol
SMILES N(C(NNC(c1cc(Cl)ccc1)=O)=S)c1c(F)cccc1F
SPLASH splash10-002r-1900000000-ec37fdf24780f9ff2022
Source of Spectrum F2-46-245-11
Wiley ID 1689821