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4-{2',6'-Di-(4''-methylcarbonylphenyl)-p-tolyl}-1-n-hexyl-1H-1,2,3-triazole

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

4-{2',6'-Di-(4''-methylcarbonylphenyl)-p-tolyl}-1-n-hexyl-1H-1,2,3-triazole
SpectraBase Compound ID DEcHxxc68O2
InChI InChI=1S/C31H33N3O2/c1-5-6-7-8-17-34-20-30(32-33-34)31-28(26-13-9-24(10-14-26)22(3)35)18-21(2)19-29(31)27-15-11-25(12-16-27)23(4)36/h9-16,18-20H,5-8,17H2,1-4H3
InChIKey TVJVOIGHMZAORQ-UHFFFAOYSA-N
Mol Weight 479.6 g/mol
Molecular Formula C31H33N3O2
Exact Mass 479.257277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jb3FjhmfiKc
Name 4-{2',6'-di-(4''-Methylcarbonylphenyl)-p-tolyl}-1-N-hexyl-1H-1,2,3-triazole
Comments Computed using HOSE algorithm
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Exact Mass 479.257277313 u
Formula C31H33N3O2
InChI InChI=1S/C31H33N3O2/c1-5-6-7-8-17-34-20-30(32-33-34)31-28(26-13-9-24(10-14-26)22(3)35)18-21(2)19-29(31)27-15-11-25(12-16-27)23(4)36/h9-16,18-20H,5-8,17H2,1-4H3
InChIKey TVJVOIGHMZAORQ-UHFFFAOYSA-N
Molecular Weight 479.624 g/mol
SMILES C=1(C=C(C=C(C1C1=CN(N=N1)CCCCCC)C=1C=CC(=CC1)C(=O)C)C)C1=CC=C(C=C1)C(=O)C