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4-(2-Bromophenyl)-1-[(3-chlorophenyl)carbonyl]thiosemicarbazide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(2-Bromophenyl)-1-[(3-chlorophenyl)carbonyl]thiosemicarbazide
SpectraBase Compound ID KwVtyQf52Ff
InChI InChI=1S/C14H11BrClN3OS/c15-11-6-1-2-7-12(11)17-14(21)19-18-13(20)9-4-3-5-10(16)8-9/h1-8H,(H,18,20)(H2,17,19,21)
InChIKey SFTKTKJWXQLBPP-UHFFFAOYSA-N
Mol Weight 384.68 g/mol
Molecular Formula C14H11BrClN3OS
Exact Mass 382.949474 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J3aPLSKtdF3
Name 4-(2-Bromophenyl)-1-[(3-chlorophenyl)carbonyl]thiosemicarbazide
Comments Computed using HOSE algorithm
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Exact Mass 382.949473859 u
Formula C14H11BrClN3OS
InChI InChI=1S/C14H11BrClN3OS/c15-11-6-1-2-7-12(11)17-14(21)19-18-13(20)9-4-3-5-10(16)8-9/h1-8H,(H,18,20)(H2,17,19,21)
InChIKey SFTKTKJWXQLBPP-UHFFFAOYSA-N
Molecular Weight 384.679 g/mol
SMILES C(NC=1C(Br)=CC=CC1)(NNC(C=1C=C(Cl)C=CC1)=O)=S