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1-Isocyanato-4-methyl-2-(phenylethynyl)benzene

View entire compound with spectra: 1 MS (GC)

1-Isocyanato-4-methyl-2-(phenylethynyl)benzene
SpectraBase Compound ID 7O23ROesGbo
InChI InChI=1S/C16H11NO/c1-13-7-10-16(17-12-18)15(11-13)9-8-14-5-3-2-4-6-14/h2-7,10-11H,1H3
InChIKey KHCPQKWEETVUNU-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C16H11NO
Exact Mass 233.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QMIbQXuNSL
Name 1-Isocyanato-4-methyl-2-(phenylethynyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11NO
InChI InChI=1S/C16H11NO/c1-13-7-10-16(17-12-18)15(11-13)9-8-14-5-3-2-4-6-14/h2-7,10-11H,1H3
InChIKey KHCPQKWEETVUNU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol9014877
Molecular Weight 233.270 g/mol
SMILES c1(C)cc(c(N=C=O)cc1)C#Cc1ccccc1
SPLASH splash10-001i-0290000000-6e59bbfd5d631871e13f
Source of Spectrum A1-11-4262/SMS10-1b
Wiley ID 1757150