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4-(1-benzotriazolyl)-4-ethoxy-1,6-diphenyl-3-hexa-1,5-diynone
SpectraBase Compound ID DgRR05SwbwW
InChI InChI=1S/C26H19N3O2/c1-2-31-26(20-19-22-13-7-4-8-14-22,25(30)18-17-21-11-5-3-6-12-21)29-24-16-10-9-15-23(24)27-28-29/h3-16H,2H2,1H3
InChIKey OFGBHSXVSXXRPI-UHFFFAOYSA-N
Mol Weight 405.46 g/mol
Molecular Formula C26H19N3O2
Exact Mass 405.147727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EiqkOPFyNuS
Name 4-(1-benzotriazolyl)-4-ethoxy-1,6-diphenyl-3-hexa-1,5-diynone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H19N3O2
InChI InChI=1S/C26H19N3O2/c1-2-31-26(20-19-22-13-7-4-8-14-22,25(30)18-17-21-11-5-3-6-12-21)29-24-16-10-9-15-23(24)27-28-29/h3-16H,2H2,1H3
InChIKey OFGBHSXVSXXRPI-UHFFFAOYSA-N
Molecular Weight 405.457 g/mol
SMILES c12nn[n](c2cccc1)C(C#Cc1ccccc1)(C(C#Cc1ccccc1)=O)OCC
SPLASH splash10-004i-0930000000-db3a4393061585ee91c9
Source of Spectrum U-1996-1237-6
Synonyms 4-(benzotriazol-1-yl)-4-ethoxy-1,6-diphenyl-hexa-1,5-diyn-3-one
Wiley ID 768671