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1-(1-Pyrenyl)dodeca-11-yne
SpectraBase Compound ID COGXFWlg9Bw
InChI InChI=1S/C28H30/c1-2-3-4-5-6-7-8-9-10-11-13-22-16-17-25-19-18-23-14-12-15-24-20-21-26(22)28(25)27(23)24/h1,12,14-21H,3-11,13H2
InChIKey KBXHQRWHYZKTIH-UHFFFAOYSA-N
Mol Weight 366.55 g/mol
Molecular Formula C28H30
Exact Mass 366.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QPkTtI4ZTy
Name 1-(1-Pyrenyl)dodeca-11-yne
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30
InChI InChI=1S/C28H30/c1-2-3-4-5-6-7-8-9-10-11-13-22-16-17-25-19-18-23-14-12-15-24-20-21-26(22)28(25)27(23)24/h1,12,14-21H,3-11,13H2
InChIKey KBXHQRWHYZKTIH-UHFFFAOYSA-N
Molecular Weight 366.548 g/mol
SMILES c12c3ccc4c2c(ccc4)ccc1ccc3CCCCCCCCCCC#C
SPLASH splash10-014i-0096000000-c035e32a7a638a944247
Source of Spectrum F-53-1515-8
Synonyms 1-(11-Dodecynyl)pyrene
Wiley ID 800255