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2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

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2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SpectraBase Compound ID BAImpQtjled
InChI InChI=1S/C26H23N3OS/c30-24(22-16-15-19-9-7-8-12-21(19)17-22)18-31-26-28-27-25(20-10-3-1-4-11-20)29(26)23-13-5-2-6-14-23/h1-6,10-11,13-17H,7-9,12,18H2
InChIKey JGNMSYMVPHDNDY-UHFFFAOYSA-N
Mol Weight 425.55 g/mol
Molecular Formula C26H23N3OS
Exact Mass 425.156184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4iB0if9QF2h
Name 2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.156183546 u
Formula C26H23N3OS
InChI InChI=1S/C26H23N3OS/c30-24(22-16-15-19-9-7-8-12-21(19)17-22)18-31-26-28-27-25(20-10-3-1-4-11-20)29(26)23-13-5-2-6-14-23/h1-6,10-11,13-17H,7-9,12,18H2
InChIKey JGNMSYMVPHDNDY-UHFFFAOYSA-N
Molecular Weight 425.550 g/mol
SMILES C=1C=CC(C=2N(C(=NN2)SCC(C2=CC=3CCCCC3C=C2)=O)C2=CC=CC=C2)=CC1