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4-{2',6'-Di-(4''-methylcarbonylphenyl)phenyl}-1-n-octyl-1H-1,2,3-triazole
SpectraBase Compound ID LH9pCptw7Wu
InChI InChI=1S/C32H35N3O2/c1-4-5-6-7-8-9-21-35-22-31(33-34-35)32-29(27-17-13-25(14-18-27)23(2)36)11-10-12-30(32)28-19-15-26(16-20-28)24(3)37/h10-20,22H,4-9,21H2,1-3H3
InChIKey GMDWZZSMPRRDHR-UHFFFAOYSA-N
Mol Weight 493.7 g/mol
Molecular Formula C32H35N3O2
Exact Mass 493.272927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Z6SnLSrrmd
Name 4-{2',6'-Di-(4''-methylcarbonylphenyl)phenyl}-1-n-octyl-1H-1,2,3-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H35N3O2
InChI InChI=1S/C32H35N3O2/c1-4-5-6-7-8-9-21-35-22-31(33-34-35)32-29(27-17-13-25(14-18-27)23(2)36)11-10-12-30(32)28-19-15-26(16-20-28)24(3)37/h10-20,22H,4-9,21H2,1-3H3
InChIKey GMDWZZSMPRRDHR-UHFFFAOYSA-N
Molecular Weight 493.651 g/mol
SMILES c1(nn[n](c1)CCCCCCCC)-c1c(-c2ccc(cc2)C(=O)C)cccc1-c1ccc(cc1)C(=O)C
SPLASH splash10-000f-0070900000-8433f1db77bf17f5cc39
Source of Spectrum F4-42-2251-3g
Synonyms 1-[4-[3-(4-acetylphenyl)-2-(1-octyl-4-triazolyl)phenyl]phenyl]ethanone 1-[4-[3-(4-ethanoylphenyl)-2-(1-octyl-1,2,3-triazol-4-yl)phenyl]phenyl]ethanone
Wiley ID 1674175