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3-[(4-methoxyphenyl)(5-bromo-1H-indol-3-yl)methyl]-1,2-hexadiene
SpectraBase Compound ID BF2YL6VKAJt
InChI InChI=1S/C22H22BrNO/c1-4-6-15(5-2)22(16-7-10-18(25-3)11-8-16)20-14-24-21-12-9-17(23)13-19(20)21/h7-14,22,24H,2,4,6H2,1,3H3
InChIKey SFEDVKCLSZSBTF-UHFFFAOYSA-N
Mol Weight 396.33 g/mol
Molecular Formula C22H22BrNO
Exact Mass 395.088477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WdOO5hENKX
Name 3-[(4-methoxyphenyl)(5-bromo-1H-indol-3-yl)methyl]-1,2-hexadiene
Appearance Oil
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Exact Mass 395.088477331 u
Formula C22H22BrNO
InChI InChI=1S/C22H22BrNO/c1-4-6-15(5-2)22(16-7-10-18(25-3)11-8-16)20-14-24-21-12-9-17(23)13-19(20)21/h7-14,22,24H,2,4,6H2,1,3H3
InChIKey SFEDVKCLSZSBTF-UHFFFAOYSA-N
Instrument Name HP 5989A
Ionization Type EI
Literature Reference DOI 10.1002/chem.201604317
Molecular Weight 396.328 g/mol
Reported Formula C22H22NO(79)Br
SMILES N1C2=C(C(=C1)C(C1=CC=C(OC)C=C1)C(=C=C)CCC)C=C(C=C2)Br
SPLASH splash10-03di-0009000000-018f8cf61d9878ca0eb8
Source of Spectrum QE-22-SM44-3v (DOI: 10.1002/chem.201604317)
Wiley ID 1905376