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2,2,5,5-Tetraphenyl-3-hexyne

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

2,2,5,5-Tetraphenyl-3-hexyne
SpectraBase Compound ID AQdKs4ciEh6
InChI InChI=1S/C30H26/c1-29(25-15-7-3-8-16-25,26-17-9-4-10-18-26)23-24-30(2,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,1-2H3
InChIKey MXNMSRJWKFAEKS-UHFFFAOYSA-N
Mol Weight 386.54 g/mol
Molecular Formula C30H26
Exact Mass 386.203451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KCknudRLm0
Name 2,2,5,5-Tetraphenyl-3-hexyne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.203450837 u
Formula C30H26
InChI InChI=1S/C30H26/c1-29(25-15-7-3-8-16-25,26-17-9-4-10-18-26)23-24-30(2,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,1-2H3
InChIKey MXNMSRJWKFAEKS-UHFFFAOYSA-N
Molecular Weight 386.538 g/mol
SMILES C(#CC(C1=CC=CC=C1)(C=1C=CC=CC1)C)C(C=1C=CC=CC1)(C=1C=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974244