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1,3,5-trimethyl-2-[2-[2-[2-(4-nitrophenyl)ethynyl]-1-cyclohexenyl]ethynyl]benzene
SpectraBase Compound ID FyxaTeYI5Qe
InChI InChI=1S/C25H23NO2/c1-18-16-19(2)25(20(3)17-18)15-12-23-7-5-4-6-22(23)11-8-21-9-13-24(14-10-21)26(27)28/h9-10,13-14,16-17H,4-7H2,1-3H3
InChIKey XTMNINRWETZKFV-UHFFFAOYSA-N
Mol Weight 369.46 g/mol
Molecular Formula C25H23NO2
Exact Mass 369.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5F747F77JER
Name [(Mesityl)ethynyl]-2-[(p-nitrophenyl)ethynyl]cyclohexene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23NO2
InChI InChI=1S/C25H23NO2/c1-18-16-19(2)25(20(3)17-18)15-12-23-7-5-4-6-22(23)11-8-21-9-13-24(14-10-21)26(27)28/h9-10,13-14,16-17H,4-7H2,1-3H3
InChIKey XTMNINRWETZKFV-UHFFFAOYSA-N
Molecular Weight 369.464 g/mol
SMILES C(#CC1=C(C#Cc2ccc([N+]([O-])=O)cc2)CCCC1)c1c(cc(cc1C)C)C
SPLASH splash10-0w4r-0290000000-ae697f4a489b437eff59
Source of Spectrum U-1997-1397-3
Wiley ID 770006