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4-[((E)-{5-[(2,3-dichlorophenoxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID HSxmU95L1YG
InChI InChI=1S/C14H10Cl2N4O2S/c15-11-2-1-3-12(13(11)16)21-7-10-5-4-9(22-10)6-18-20-8-17-19-14(20)23/h1-6,8H,7H2,(H,19,23)/b18-6+
InChIKey WSLNNSRQRQVFGN-NGYBGAFCSA-N
Mol Weight 369.23 g/mol
Molecular Formula C14H10Cl2N4O2S
Exact Mass 367.990152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8AqjoFQq47V
Name 4-[((E)-{5-[(2,3-dichlorophenoxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.990152150 u
Formula C14H10Cl2N4O2S
InChI InChI=1S/C14H10Cl2N4O2S/c15-11-2-1-3-12(13(11)16)21-7-10-5-4-9(22-10)6-18-20-8-17-19-14(20)23/h1-6,8H,7H2,(H,19,23)/b18-6+
InChIKey WSLNNSRQRQVFGN-NGYBGAFCSA-N
Molecular Weight 369.226 g/mol
SMILES SC=1N(C=NN1)\N=C\C=1OC(COC=2C(=C(Cl)C=CC2)Cl)=CC1