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4-((1,1'-Biphenyl)-4-yl)-6-bromo-2-methyl-3-pentyl-2H-chromene
SpectraBase Compound ID 5x6Fcf6DBI7
InChI InChI=1S/C27H27BrO/c1-3-4-6-11-24-19(2)29-26-17-16-23(28)18-25(26)27(24)22-14-12-21(13-15-22)20-9-7-5-8-10-20/h5,7-10,12-19H,3-4,6,11H2,1-2H3
InChIKey FLGZDGTXPWIINQ-UHFFFAOYSA-N
Mol Weight 447.42 g/mol
Molecular Formula C27H27BrO
Exact Mass 446.124528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbbrAEc7dYS
Name 4-((1,1'-Biphenyl)-4-yl)-6-bromo-2-methyl-3-pentyl-2H-chromene
Appearance Light yellow oil
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Exact Mass 446.124528488 u
Formula C27H27BrO
InChI InChI=1S/C27H27BrO/c1-3-4-6-11-24-19(2)29-26-17-16-23(28)18-25(26)27(24)22-14-12-21(13-15-22)20-9-7-5-8-10-20/h5,7-10,12-19H,3-4,6,11H2,1-2H3
InChIKey FLGZDGTXPWIINQ-UHFFFAOYSA-N
Instrument Name Finnigan SSQ
Ionization Type EI
Literature Reference DOI 10.1002/chem.201701255
Molecular Weight 447.416 g/mol
Quality 16
Reported Formula C27H27OBr
SMILES C1(=CC2=C(C=C1)OC(C(=C2C1=CC=C(C=C1)C1=CC=CC=C1)CCCCC)C)Br
SPLASH splash10-0002-9001000000-6bdf0cfe1326d070f4bc
Source of Spectrum QE-23-SM15-6e (DOI: 10.1002/chem.201701255)
Thin-Layer Chromatography 0.44 (pentane/EtOAc, 40:1)
Wiley ID 1905790