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6-(Benzotriazol-1'-yl)-6-ethoxy-2,2-dimethyl-8-phenylocta-3,7-diyn-5-one
SpectraBase Compound ID 3qdz0NXphb4
InChI InChI=1S/C24H23N3O2/c1-5-29-24(22(28)16-17-23(2,3)4,18-15-19-11-7-6-8-12-19)27-21-14-10-9-13-20(21)25-26-27/h6-14H,5H2,1-4H3
InChIKey XZEQGYSZZWAAJA-UHFFFAOYSA-N
Mol Weight 385.47 g/mol
Molecular Formula C24H23N3O2
Exact Mass 385.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXXJdd8j541
Name 6-(Benzotriazol-1'-yl)-6-ethoxy-2,2-dimethyl-8-phenylocta-3,7-diyn-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23N3O2
InChI InChI=1S/C24H23N3O2/c1-5-29-24(22(28)16-17-23(2,3)4,18-15-19-11-7-6-8-12-19)27-21-14-10-9-13-20(21)25-26-27/h6-14H,5H2,1-4H3
InChIKey XZEQGYSZZWAAJA-UHFFFAOYSA-N
Molecular Weight 385.467 g/mol
SMILES c12nn[n](c2cccc1)C(C#Cc1ccccc1)(C(C#CC(C)(C)C)=O)OCC
SPLASH splash10-004i-0950000000-b6369e03f168499e4631
Source of Spectrum U-1996-1237-6
Synonyms 3-(1H-1,2,3-benzotriazol-1-yl)-3-ethoxy-7,7-dimethyl-1-phenyl-1,5-octadiyn-4-one 3-(1-benzotriazolyl)-3-ethoxy-7,7-dimethyl-1-phenyl-4-octa-1,5-diynone 3-(benzotriazol-1-yl)-3-ethoxy-7,7-dimethyl-1-phenylocta-1,5-diyn-4-one
Wiley ID 768670