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1,1'-Ethylenebis[3-(p-chlorophenyl)-2-thiourea]

View entire compound with spectra: 2 NMR, and 1 FTIR

1,1'-Ethylenebis[3-(p-chlorophenyl)-2-thiourea]
SpectraBase Compound ID 4myeKolk8pI
InChI InChI=1S/C16H16Cl2N4S2/c17-11-1-5-13(6-2-11)21-15(23)19-9-10-20-16(24)22-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H2,19,21,23)(H2,20,22,24)
InChIKey UIQPXBCIKKTHCA-UHFFFAOYSA-N
Mol Weight 399.36 g/mol
Molecular Formula C16H16Cl2N4S2
Exact Mass 398.019344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HBDrqWsEWWn
Name 1,1'-Ethylenebis[3-(p-chlorophenyl)-2-thiourea]
Comments Computed using HOSE algorithm
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Exact Mass 398.019344279 u
Formula C16H16Cl2N4S2
InChI InChI=1S/C16H16Cl2N4S2/c17-11-1-5-13(6-2-11)21-15(23)19-9-10-20-16(24)22-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H2,19,21,23)(H2,20,22,24)
InChIKey UIQPXBCIKKTHCA-UHFFFAOYSA-N
Molecular Weight 399.358 g/mol
SMILES N(C1=CC=C(C=C1)Cl)C(NCCNC(NC=1C=CC(=CC1)Cl)=S)=S