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4-(4,4''-Bis-trifluoromethyl-[1,1';3',1'']terphenyl-2'-yl)-1-octyl-1H-[1,2,3]triazole
SpectraBase Compound ID LmReCsExgYb
InChI InChI=1S/C30H29F6N3/c1-2-3-4-5-6-7-19-39-20-27(37-38-39)28-25(21-11-15-23(16-12-21)29(31,32)33)9-8-10-26(28)22-13-17-24(18-14-22)30(34,35)36/h8-18,20H,2-7,19H2,1H3
InChIKey JPOVFMSZSZWPCH-UHFFFAOYSA-N
Mol Weight 545.57 g/mol
Molecular Formula C30H29F6N3
Exact Mass 545.226567 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9y6Z4bjMTRG
Name 4-(4,4''-Bis-trifluoromethyl-[1,1';3',1'']terphenyl-2'-yl)-1-octyl-1H-[1,2,3]triazole
Alternate Name(s) 4-{2',6'-Di-(4''-trifluoromethyl)phenyl}-1-n-octyl-1H-1,2,3-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H29F6N3
InChI InChI=1S/C30H29F6N3/c1-2-3-4-5-6-7-19-39-20-27(37-38-39)28-25(21-11-15-23(16-12-21)29(31,32)33)9-8-10-26(28)22-13-17-24(18-14-22)30(34,35)36/h8-18,20H,2-7,19H2,1H3
InChIKey JPOVFMSZSZWPCH-UHFFFAOYSA-N
Molecular Weight 545.573 g/mol
SMILES c1(nn[n](c1)CCCCCCCC)-c1c(-c2ccc(C(F)(F)F)cc2)cccc1-c1ccc(C(F)(F)F)cc1
SPLASH splash10-0006-9000170000-bd75a6881297ceb30a59
Source of Spectrum F4-42-2251-3c
Wiley ID 1674176