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(E)-1-[5-(4-bromophenyl)-2-oxapent-4-enyl]-2-cyano-6-methoxynaphthalene
SpectraBase Compound ID AKSgUnaH0Nd
InChI InChI=1S/C22H18BrNO2/c1-25-20-10-11-21-17(13-20)6-7-18(14-24)22(21)15-26-12-2-3-16-4-8-19(23)9-5-16/h2-11,13H,12,15H2,1H3/b3-2+
InChIKey PMZWFEHTCCUOFN-NSCUHMNNSA-N
Mol Weight 408.3 g/mol
Molecular Formula C22H18BrNO2
Exact Mass 407.052092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPsAB9yCKsM
Name (E)-1-[5-(4-bromophenyl)-2-oxapent-4-enyl]-2-cyano-6-methoxynaphthalene
Appearance Colorless solid
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Exact Mass 407.052091822 u
Formula C22H18BrNO2
InChI InChI=1S/C22H18BrNO2/c1-25-20-10-11-21-17(13-20)6-7-18(14-24)22(21)15-26-12-2-3-16-4-8-19(23)9-5-16/h2-11,13H,12,15H2,1H3/b3-2+
InChIKey PMZWFEHTCCUOFN-NSCUHMNNSA-N
Instrument Name JEOL JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.202201051
Molecular Weight 408.295 g/mol
Quality 185
Reported Formula C22H18BrNO2
SMILES C=1(C(=CC=C2C=C(C=CC12)OC)C#N)COC\C=C\C=1C=CC(=CC1)Br
SPLASH splash10-0udj-0900100000-916a9a7c5e59917f7e99
Source of Spectrum K1-2022-10-(E)-6bd (DOI: 10.1002/ejoc.202201051)
Wiley ID 1898979