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1-(2-Phenylethynyl)-2-[2-(2-phenylethynyl)benzyl]benzene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-(2-Phenylethynyl)-2-[2-(2-phenylethynyl)benzyl]benzene
SpectraBase Compound ID 4DIgHQMbh
InChI InChI=1S/C29H20/c1-3-11-24(12-4-1)19-21-26-15-7-9-17-28(26)23-29-18-10-8-16-27(29)22-20-25-13-5-2-6-14-25/h1-18H,23H2
InChIKey GVHTWXPFAKTYCI-UHFFFAOYSA-N
Mol Weight 368.48 g/mol
Molecular Formula C29H20
Exact Mass 368.156501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1GetM7AB1fm
Name 1-(2-Phenylethynyl)-2-[2-(2-phenylethynyl)benzyl]benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.156500644 u
Formula C29H20
InChI InChI=1S/C29H20/c1-3-11-24(12-4-1)19-21-26-15-7-9-17-28(26)23-29-18-10-8-16-27(29)22-20-25-13-5-2-6-14-25/h1-18H,23H2
InChIKey GVHTWXPFAKTYCI-UHFFFAOYSA-N
Molecular Weight 368.479 g/mol
SMILES C(C=1C(=CC=CC1)C#CC=1C=CC=CC1)C=1C(=CC=CC1)C#CC=1C=CC=CC1