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4-[(Benzylamino)methyl]-2-(2,4-dichlorophenyl)-DELTA2-1,3,4-oxadiazoline-5-thione
SpectraBase Compound ID 1ApZ6Z74f2n
InChI InChI=1S/C16H13Cl2N3OS/c17-12-6-7-13(14(18)8-12)15-20-21(16(23)22-15)10-19-9-11-4-2-1-3-5-11/h1-8,19H,9-10H2
InChIKey PHWDFOXJFBGODL-UHFFFAOYSA-N
Mol Weight 366.27 g/mol
Molecular Formula C16H13Cl2N3OS
Exact Mass 365.015639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECI3K3wAFMF
Name 4-[(Benzylamino)methyl]-2-(2,4-dichlorophenyl)-DELTA2-1,3,4-oxadiazoline-5-thione
Comments Computed using HOSE algorithm
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Exact Mass 365.015638624 u
Formula C16H13Cl2N3OS
InChI InChI=1S/C16H13Cl2N3OS/c17-12-6-7-13(14(18)8-12)15-20-21(16(23)22-15)10-19-9-11-4-2-1-3-5-11/h1-8,19H,9-10H2
InChIKey PHWDFOXJFBGODL-UHFFFAOYSA-N
Molecular Weight 366.266 g/mol
SMILES N(CC1=CC=CC=C1)CN1N=C(OC1=S)C=1C(=CC(=CC1)Cl)Cl