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3-Dodecyl-2-(phenylethynyl)-1,1'-biphenyl

View entire compound with spectra: 1 MS (GC)

3-Dodecyl-2-(phenylethynyl)-1,1'-biphenyl
SpectraBase Compound ID 2ZRziNlnge
InChI InChI=1S/C32H38/c1-2-3-4-5-6-7-8-9-10-15-21-30-24-18-25-31(29-22-16-12-17-23-29)32(30)27-26-28-19-13-11-14-20-28/h11-14,16-20,22-25H,2-10,15,21H2,1H3
InChIKey XTJCQHANEYXBFN-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C32H38
Exact Mass 422.297351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWJoVDui1VQ
Name 3-Dodecyl-2-(phenylethynyl)-1,1'-biphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H38
InChI InChI=1S/C32H38/c1-2-3-4-5-6-7-8-9-10-15-21-30-24-18-25-31(29-22-16-12-17-23-29)32(30)27-26-28-19-13-11-14-20-28/h11-14,16-20,22-25H,2-10,15,21H2,1H3
InChIKey XTJCQHANEYXBFN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.joc.5b01198
Molecular Weight 422.656 g/mol
SMILES c1(c(c(ccc1)CCCCCCCCCCCC)C#Cc1ccccc1)-c1ccccc1
SPLASH splash10-1029-7490100000-a6022410fc2aa3e03021
Source of Spectrum J-80-7314-9g
Wiley ID 1806721