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1-(alpha-Benzhydryl)-5-anilino(5-methyl-2-thienyl)methyltetrazole

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1-(alpha-Benzhydryl)-5-anilino(5-methyl-2-thienyl)methyltetrazole
SpectraBase Compound ID BUMIEMNQokv
InChI InChI=1S/C26H23N5S/c1-19-14-15-22(25-13-8-16-32-25)24(17-19)27-26-28-29-30-31(26)18-23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-17,23H,18H2,1H3,(H,27,28,30)
InChIKey MYKSVMDSOMPSCB-UHFFFAOYSA-N
Mol Weight 437.57 g/mol
Molecular Formula C26H23N5S
Exact Mass 437.167417 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQW3UTETVdT
Name 1-(alpha-Benzhydryl)-5-anilino(5-methyl-2-thienyl)methyltetrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.167416935 u
Formula C26H23N5S
InChI InChI=1S/C26H23N5S/c1-19-14-15-22(25-13-8-16-32-25)24(17-19)27-26-28-29-30-31(26)18-23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-17,23H,18H2,1H3,(H,27,28,30)
InChIKey MYKSVMDSOMPSCB-UHFFFAOYSA-N
Molecular Weight 437.565 g/mol
SMILES N(c1cc(ccc1C=1SC=CC1)C)C1=NN=NN1CC(c1ccccc1)c1ccccc1