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4-(p-Methoxybenzoyl)-5-[(5'-phenyl-2(2H)-tetrazolyl)methyl]-1,2,4(4H)-triazole-3-thione
SpectraBase Compound ID Kb3pDAflDd4
InChI InChI=1S/C18H15N7O2S/c1-27-14-9-7-13(8-10-14)17(26)25-15(19-21-18(25)28)11-24-22-16(20-23-24)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,21,28)
InChIKey WSOYYCTUBGFOTE-UHFFFAOYSA-N
Mol Weight 393.43 g/mol
Molecular Formula C18H15N7O2S
Exact Mass 393.100794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aj77oYIY950
Name 4-(p-Methoxybenzoyl)-5-[(5'-phenyl-2(2H)-tetrazolyl)methyl]-1,2,4(4H)-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N7O2S
InChI InChI=1S/C18H15N7O2S/c1-27-14-9-7-13(8-10-14)17(26)25-15(19-21-18(25)28)11-24-22-16(20-23-24)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,21,28)
InChIKey WSOYYCTUBGFOTE-UHFFFAOYSA-N
Molecular Weight 393.425 g/mol
SMILES N1N=C(N(C1=S)C(c1ccc(cc1)OC)=O)C[n]1nc(-c2ccccc2)nn1
SPLASH splash10-0a59-0693000000-b54f973aeeb4c53f280e
Source of Spectrum OP-24-494-2
Wiley ID 850393