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10-Phenylcarbonyl-4-(4'-methylcarbonylphenyl)-1-n-octyl-1H-phenanthro [9,10-d]-1,2,3-triazole
SpectraBase Compound ID ABEgJT4ADkb
InChI InChI=1S/C32H33N3O2/c1-4-5-6-7-8-9-19-35-32-29-20-25(22(3)37)17-18-27(29)28-12-10-11-26(30(28)31(32)33-34-35)24-15-13-23(14-16-24)21(2)36/h10-18,20H,4-9,19H2,1-3H3
InChIKey IGWXEXAOXBYSTJ-UHFFFAOYSA-N
Mol Weight 491.6 g/mol
Molecular Formula C32H33N3O2
Exact Mass 491.257277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FS3wTq65zvq
Name 10-Phenylcarbonyl-4-(4'-methylcarbonylphenyl)-1-n-octyl-1H-phenanthro [9,10-d]-1,2,3-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H33N3O2
InChI InChI=1S/C32H33N3O2/c1-4-5-6-7-8-9-19-35-32-29-20-25(22(3)37)17-18-27(29)28-12-10-11-26(30(28)31(32)33-34-35)24-15-13-23(14-16-24)21(2)36/h10-18,20H,4-9,19H2,1-3H3
InChIKey IGWXEXAOXBYSTJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol1005517
Molecular Weight 491.635 g/mol
SMILES c12c3c([n](CCCCCCCC)nn3)c3c(c1cccc2-c1ccc(cc1)C(=O)C)ccc(c3)C(C)=O
SPLASH splash10-0006-3000900000-8bd855f295ad73e08803
Source of Spectrum A1-12-2056/SMS27-6e
Synonyms 1-(4-(10-acetyl-1-octyl-1H-phenanthro[9,10-d][1,2,3]triazol-4-yl)phenyl)ethanone 1-[4-(5-acetyl-3-octyl-11-phenanthro[9,10-d]triazolyl)phenyl]ethanone 1-[4-(5-acetyl-3-octylphenanthro[9,10-d]triazol-11-yl)phenyl]ethanone 1-[4-(5-ethanoyl-3-octyl-phenanthro[9,10-d][1,2,3]triazol-11-yl)phenyl]ethanone
Wiley ID 1752166