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5-Methyl-2-[[2-(phenylethynyl)benzyl]oxy]benzonitrile
SpectraBase Compound ID 7UHOb3mLsOx
InChI InChI=1S/C23H17NO/c1-18-11-14-23(22(15-18)16-24)25-17-21-10-6-5-9-20(21)13-12-19-7-3-2-4-8-19/h2-11,14-15H,17H2,1H3
InChIKey RXNMXRRIGAASQO-UHFFFAOYSA-N
Mol Weight 323.4 g/mol
Molecular Formula C23H17NO
Exact Mass 323.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9GmI4ckv75d
Name 5-Methyl-2-[[2-(phenylethynyl)benzyl]oxy]benzonitrile
Alternate Name(s) 5-Methyl-2-((2-(phenylethynyl)benzyl)oxy)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17NO
InChI InChI=1S/C23H17NO/c1-18-11-14-23(22(15-18)16-24)25-17-21-10-6-5-9-20(21)13-12-19-7-3-2-4-8-19/h2-11,14-15H,17H2,1H3
InChIKey RXNMXRRIGAASQO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.joc.5b01884
Molecular Weight 323.395 g/mol
SMILES C(c1c(ccc(c1)C)OCc1c(cccc1)C#Cc1ccccc1)#N
SPLASH splash10-0006-0900000000-0080d350bc651181af45
Source of Spectrum J-80-10283-1m
Wiley ID 1801689