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1-[4-Acetyl-2'-(4-hexyl-1,2,3-triazol-1-yl)-5'-methoxy-[1,1';3',1'']terphenyl-4''-yl]ethanone

View entire compound with spectra: 1 MS (GC)

1-[4-Acetyl-2'-(4-hexyl-1,2,3-triazol-1-yl)-5'-methoxy-[1,1';3',1'']terphenyl-4''-yl]ethanone
SpectraBase Compound ID 4bifsxA3sFL
InChI InChI=1S/C31H33N3O3/c1-5-6-7-8-9-27-20-34(33-32-27)31-29(25-14-10-23(11-15-25)21(2)35)18-28(37-4)19-30(31)26-16-12-24(13-17-26)22(3)36/h10-20H,5-9H2,1-4H3
InChIKey LROHWPWEXLWKPW-UHFFFAOYSA-N
Mol Weight 495.6 g/mol
Molecular Formula C31H33N3O3
Exact Mass 495.252192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yQpN1lM4u
Name 1-[4-Acetyl-2'-(4-hexyl-1,2,3-triazol-1-yl)-5'-methoxy-[1,1';3',1'']terphenyl-4''-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H33N3O3
InChI InChI=1S/C31H33N3O3/c1-5-6-7-8-9-27-20-34(33-32-27)31-29(25-14-10-23(11-15-25)21(2)35)18-28(37-4)19-30(31)26-16-12-24(13-17-26)22(3)36/h10-20H,5-9H2,1-4H3
InChIKey LROHWPWEXLWKPW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cssc.200900014
Molecular Weight 495.623 g/mol
SMILES c1(-[n]2nnc(CCCCCC)c2)c(-c2ccc(C(C)=O)cc2)cc(OC)cc1-c1ccc(cc1)C(=O)C
SPLASH splash10-0gbi-1003900000-ceaa0c36486a1c70e53f
Source of Spectrum CSC-2-546/SM19-13
Synonyms 1,1'-(2'-(4-hexyl-1H-1,2,3-triazol-1-yl)-5'-methoxy-[1,1':3',1''-terphenyl]-4,4''-diyl)bis(ethan-1-one)
Wiley ID 1787289