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1-Ethanone, 2-[[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-1-(3,4-dimethoxyphenyl)-

View entire compound with spectra: 1 MS (GC)

1-Ethanone, 2-[[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-1-(3,4-dimethoxyphenyl)-
SpectraBase Compound ID 7qRrZkXZ02V
InChI InChI=1S/C26H23N3O5S/c1-31-20-13-12-17(14-23(20)32-2)19(30)16-35-26-28-27-25(29(26)18-8-4-3-5-9-18)24-15-33-21-10-6-7-11-22(21)34-24/h3-14,24H,15-16H2,1-2H3
InChIKey ZQSQUIWGKQCKGQ-UHFFFAOYSA-N
Mol Weight 489.55 g/mol
Molecular Formula C26H23N3O5S
Exact Mass 489.135842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3hBuakVGbc
Name 1-Ethanone, 2-[[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-1-(3,4-dimethoxyphenyl)-
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Formula C26H23N3O5S
InChI InChI=1S/C26H23N3O5S/c1-31-20-13-12-17(14-23(20)32-2)19(30)16-35-26-28-27-25(29(26)18-8-4-3-5-9-18)24-15-33-21-10-6-7-11-22(21)34-24/h3-14,24H,15-16H2,1-2H3
InChIKey ZQSQUIWGKQCKGQ-UHFFFAOYSA-N
Molecular Weight 489.546 g/mol
SMILES c1cc2OC(COc2cc1)c1[n](c(SCC(=O)c2cc(c(cc2)OC)OC)nn1)-c1ccccc1
SPLASH splash10-014i-5910000000-35db2b8cae907b7aec5d
Source of Spectrum IY-1-4688-2
Synonyms 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
Wiley ID 1654865