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Ethane, 1,2-bis(5-phenyl-1H-1,2,4-triazol-3-yl)-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Ethane, 1,2-bis(5-phenyl-1H-1,2,4-triazol-3-yl)-
SpectraBase Compound ID LTEd6B3eeIi
InChI InChI=1S/C18H16N6/c1-3-7-13(8-4-1)17-19-15(21-23-17)11-12-16-20-18(24-22-16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,21,23)(H,20,22,24)
InChIKey OTLKEQLJIMUPJR-UHFFFAOYSA-N
Mol Weight 316.37 g/mol
Molecular Formula C18H16N6
Exact Mass 316.143645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8JjIi48MaQ
Name Ethane, 1,2-bis(5-phenyl-1H-1,2,4-triazol-3-yl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.143644539 u
Formula C18H16N6
InChI InChI=1S/C18H16N6/c1-3-7-13(8-4-1)17-19-15(21-23-17)11-12-16-20-18(24-22-16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,21,23)(H,20,22,24)
InChIKey OTLKEQLJIMUPJR-UHFFFAOYSA-N
Molecular Weight 316.368 g/mol
SMILES C1=CC(C=2NN=C(N2)CCC2=NNC(=N2)C2=CC=CC=C2)=CC=C1