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4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID Jph3MDBxfkf
InChI InChI=1S/C8H7ClN4S/c9-6-4-2-1-3-5(6)7-11-12-8(14)13(7)10/h1-4H,10H2,(H,12,14)
InChIKey LCHRECYVKFDKAP-UHFFFAOYSA-N
Mol Weight 226.69 g/mol
Molecular Formula C8H7ClN4S
Exact Mass 226.007995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hTEp0xxVqo
Name 4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7ClN4S
InChI InChI=1S/C8H7ClN4S/c9-6-4-2-1-3-5(6)7-11-12-8(14)13(7)10/h1-4H,10H2,(H,12,14)
InChIKey LCHRECYVKFDKAP-UHFFFAOYSA-N
Instrument Name Varian MAT 311A or HP6890 series
Ionization Type EI
Literature Reference DOI 10.1021/jm801399r
Molecular Weight 226.685 g/mol
SMILES N[n]1c(nnc1-c1c(cccc1)Cl)S
SPLASH splash10-004i-2890000000-df7c0550e80bdd06ffd8
Source of Spectrum AF-52-4207-14
Wiley ID 1873605