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1-Methyl-3-(phenylethynyl)benzene
SpectraBase Compound ID 3GxALbOSpcf
InChI InChI=1S/C15H12/c1-13-6-5-9-15(12-13)11-10-14-7-3-2-4-8-14/h2-9,12H,1H3
InChIKey CREZZKUDBMAYFS-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C15H12
Exact Mass 192.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhGNNwEIL7Y
Name 1-methyl-3-(phenylethynyl)benzene
Appearance Dark brown oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.093900386 u
Formula C15H12
InChI InChI=1S/C15H12/c1-13-6-5-9-15(12-13)11-10-14-7-3-2-4-8-14/h2-9,12H,1H3
InChIKey CREZZKUDBMAYFS-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7000D
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200009
Molecular Weight 192.261 g/mol
Quality 267
SMILES C1=CC(C#CC=2C=CC=C(C2)C)=CC=C1
SPLASH splash10-0006-0900000000-2291553d2d17b1161632
Source of Spectrum K1-2022-SM42-Table 3, entry 10 (DOI: 10.1002/ejoc.202200009)
Wiley ID 1898457