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5,6-dimethoxy-1',2',3',4'-tetrahydro-[1,1'-biphenyl]-3-carbaldehyde
SpectraBase Compound ID FIMWnWH4vDj
InChI InChI=1S/C15H18O3/c1-17-14-9-11(10-16)8-13(15(14)18-2)12-6-4-3-5-7-12/h4,6,8-10,12H,3,5,7H2,1-2H3
InChIKey XPPFNWXJDSIFSC-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJPdDlAkanL
Name 5,6-dimethoxy-1',2',3',4'-tetrahydro-[1,1'-biphenyl]-3-carbaldehyde
Appearance Colorless oil
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Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-17-14-9-11(10-16)8-13(15(14)18-2)12-6-4-3-5-7-12/h4,6,8-10,12H,3,5,7H2,1-2H3
InChIKey XPPFNWXJDSIFSC-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A & Agilent Technologies 5975C Inert XL EI/CI MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.201906898
Molecular Weight 246.306 g/mol
Reported Formula C15H18O3
SMILES COc1c(cc(cc1C1CCCC=C1)C=O)OC
SPLASH splash10-00kb-0490000000-80536a36a3455112e057
Source of Spectrum ACI-58-SM42-8e
Wiley ID 1875546