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1-(Phenylethynyl)naphthalene
SpectraBase Compound ID 8ADcjrEWodD
InChI InChI=1S/C18H12/c1-2-7-15(8-3-1)13-14-17-11-6-10-16-9-4-5-12-18(16)17/h1-12H
InChIKey RJTQETWCPOVCSR-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C18H12
Exact Mass 228.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rjN5tmQAYl
Name 1-(phenylethynyl)naphthalene
Appearance Dark brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.093900386 u
Formula C18H12
InChI InChI=1S/C18H12/c1-2-7-15(8-3-1)13-14-17-11-6-10-16-9-4-5-12-18(16)17/h1-12H
InChIKey RJTQETWCPOVCSR-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7000D
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200009
Molecular Weight 228.294 g/mol
Quality 238
SMILES C12=C(C(C#CC=3C=CC=CC3)=CC=C1)C=CC=C2
SPLASH splash10-004i-0190000000-83e0d7d68c121e41390f
Source of Spectrum K1-2022-SM57-Table 3, entry 20 (DOI: 10.1002/ejoc.202200009)
Wiley ID 1898468