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4-Allyl-5-[4-(1-methyl-1-phenyl-ethyl)-phenoxymethyl]-4H-[1,2,4]triazole-3-thiol

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4-Allyl-5-[4-(1-methyl-1-phenyl-ethyl)-phenoxymethyl]-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID 9737WULGcnk
InChI InChI=1S/C21H23N3OS/c1-4-14-24-19(22-23-20(24)26)15-25-18-12-10-17(11-13-18)21(2,3)16-8-6-5-7-9-16/h4-13H,1,14-15H2,2-3H3,(H,23,26)
InChIKey AECLCPPRRANGDB-UHFFFAOYSA-N
Mol Weight 365.5 g/mol
Molecular Formula C21H23N3OS
Exact Mass 365.156184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9I2doGoi60H
Name 4-Allyl-5-[4-(1-methyl-1-phenyl-ethyl)-phenoxymethyl]-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 365.156183546 u
Formula C21H23N3OS
InChI InChI=1S/C21H23N3OS/c1-4-14-24-19(22-23-20(24)26)15-25-18-12-10-17(11-13-18)21(2,3)16-8-6-5-7-9-16/h4-13H,1,14-15H2,2-3H3,(H,23,26)
InChIKey AECLCPPRRANGDB-UHFFFAOYSA-N
Molecular Weight 365.495 g/mol
SMILES C1=CC=C(C(C2=CC=C(OCC=3N(C(=NN3)S)CC=C)C=C2)(C)C)C=C1