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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 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWBSaZSQNYv
Name 4-{2',6'-Di-(4''-methylcarbonylphenyl)-p-tolyl}-1-n-hexyl-1H-1,2,3-triazole
Alternate Name(s) 1,1'-(2'-(1-hexyl-1H-1,2,3-triazol-4-yl)-5'-methyl-[1,1':3',1''-terphenyl]-4,4''-diyl)diethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1021/ol1005517
Molecular Weight 479.624 g/mol
SMILES c1(cc(cc(c1-c1c[n](nn1)CCCCCC)-c1ccc(cc1)C(=O)C)C)-c1ccc(cc1)C(=O)C
SPLASH splash10-0fb9-1010900000-ca3b7f9b67d8f69f1b52
Source of Spectrum A1-12-2056/SMS21-5f
Wiley ID 1752160