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5-(4-Butoxyphenyl)-3-[4'-(heptyloxy)[1,1'-biphenyl]-4-yl]-1,2,4-oxadiazole

View entire compound with spectra: 2 MS (GC)

5-(4-Butoxyphenyl)-3-[4'-(heptyloxy)[1,1'-biphenyl]-4-yl]-1,2,4-oxadiazole
SpectraBase Compound ID 3Nped8tAgtp
InChI InChI=1S/C31H36N2O3/c1-3-5-7-8-9-23-35-28-18-14-25(15-19-28)24-10-12-26(13-11-24)30-32-31(36-33-30)27-16-20-29(21-17-27)34-22-6-4-2/h10-21H,3-9,22-23H2,1-2H3
InChIKey WTSLZFWPANALKH-UHFFFAOYSA-N
Mol Weight 484.6 g/mol
Molecular Formula C31H36N2O3
Exact Mass 484.272593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85R5RGhciNL
Name 5-(4-Butoxyphenyl)-3-[4'-(heptyloxy)[1,1'-biphenyl]-4-yl]-1,2,4-oxadiazole
CAS Registry Number 171622-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H36N2O3
InChI InChI=1S/C31H36N2O3/c1-3-5-7-8-9-23-35-28-18-14-25(15-19-28)24-10-12-26(13-11-24)30-32-31(36-33-30)27-16-20-29(21-17-27)34-22-6-4-2/h10-21H,3-9,22-23H2,1-2H3
InChIKey WTSLZFWPANALKH-UHFFFAOYSA-N
Molecular Weight 484.640 g/mol
SMILES c1(nc(no1)-c1ccc(cc1)-c1ccc(cc1)OCCCCCCC)-c1ccc(cc1)OCCCC
SPLASH splash10-0002-5900000000-9d7a93db8857294a4ea6
Synonyms 5-(4-Butoxyphenyl)-3-(4'-heptyloxy-4-biphenylyl)-1,2,4-oxadiazole 5-(4-butoxyphenyl)-3-[4-(4-heptoxyphenyl)phenyl]-1,2,4-oxadiazole
Wiley ID 1470048