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4-Nitro-3-phenyl-1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]-1-butanone
SpectraBase Compound ID BItRInnLH80
InChI InChI=1S/C28H23NO3/c30-28(19-24(20-29(31)32)22-11-5-2-6-12-22)27-18-16-23-13-7-8-14-25(23)26(27)17-15-21-9-3-1-4-10-21/h1-14,24H,16,18-20H2
InChIKey RAAFUTYHIDRUEG-UHFFFAOYSA-N
Mol Weight 421.5 g/mol
Molecular Formula C28H23NO3
Exact Mass 421.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiwkZKzViFl
Name 4-Nitro-3-phenyl-1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]-1-butanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23NO3
InChI InChI=1S/C28H23NO3/c30-28(19-24(20-29(31)32)22-11-5-2-6-12-22)27-18-16-23-13-7-8-14-25(23)26(27)17-15-21-9-3-1-4-10-21/h1-14,24H,16,18-20H2
InChIKey RAAFUTYHIDRUEG-UHFFFAOYSA-N
Molecular Weight 421.496 g/mol
SMILES C1(C#Cc2ccccc2)=C(C(CC(CN(=O)=O)c2ccccc2)=O)CCc2c1cccc2
SPLASH splash10-00di-0090100000-3a21e81592a42f974a2b
Source of Spectrum U-1996-1860-15
Synonyms 4-Nitro-3-phenyl-1-[1-(2-phenylethynyl)-3,4-dihydronaphthalen-2-yl]butan-1-one
Wiley ID 769202