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1,4-DIPHENYL-BUT-3-EN-1-YNE
SpectraBase Compound ID 4vtPsAtSetJ
InChI InChI=1S/C16H12/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H/b13-7+
InChIKey LHNRWGOBPNCPKQ-NTUHNPAUSA-N
Mol Weight 204.27 g/mol
Molecular Formula C16H12
Exact Mass 204.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrnMrAWGbbk
Name (E)-but-1-en-3-yne-1,4-diyldibenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12
InChI InChI=1S/C16H12/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H/b13-7+
InChIKey LHNRWGOBPNCPKQ-NTUHNPAUSA-N
Instrument Name Agilent HP6890 series plus-HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202001411
Molecular Weight 204.272 g/mol
SMILES c1cc(ccc1)\C=C\C#Cc1ccccc1
SPLASH splash10-0udi-0190000000-d33abcff8fad99354d6d
Source of Spectrum CCC-13-SM14-10m
Wiley ID 1856523