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2,4-Dibromo-6-(2-methyl-3-octylcyclobut-1-en-1-yl)pyridine
SpectraBase Compound ID LjUlun0ebXJ
InChI InChI=1S/C18H25Br2N/c1-3-4-5-6-7-8-9-14-10-16(13(14)2)17-11-15(19)12-18(20)21-17/h11-12,14H,3-10H2,1-2H3
InChIKey KPOLNEHONZYISV-UHFFFAOYSA-N
Mol Weight 415.21 g/mol
Molecular Formula C18H25Br2N
Exact Mass 413.035376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVQtJCBVeRK
Name 2,4-Dibromo-6-(2-methyl-3-octylcyclobut-1-en-1-yl)pyridine
Appearance Slightly yellow oil
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Formula C18H25Br2N
InChI InChI=1S/C18H25Br2N/c1-3-4-5-6-7-8-9-14-10-16(13(14)2)17-11-15(19)12-18(20)21-17/h11-12,14H,3-10H2,1-2H3
InChIKey KPOLNEHONZYISV-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201604585
Molecular Weight 415.213 g/mol
Quality 207
Reported Formula C18H25(79)Br2N
SMILES C1(Br)=CC(=NC(=C1)C1=C(C(C1)CCCCCCCC)C)Br
SPLASH splash10-0udi-2009200000-2fe1c085b97bd9bdfb6b
Source of Spectrum QE-23-SM25-18d (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.33 (hexane, UV, KMnO4)
Wiley ID 1903870