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(E)-1-[5-(4-bromophenyl)-2-oxapent-4-enyl]-2-cyanonaphthalene
SpectraBase Compound ID 463Z0pQ7IFW
InChI InChI=1S/C21H16BrNO/c22-19-11-7-16(8-12-19)4-3-13-24-15-21-18(14-23)10-9-17-5-1-2-6-20(17)21/h1-12H,13,15H2/b4-3+
InChIKey JNZCAGOVQDRMIU-ONEGZZNKSA-N
Mol Weight 378.27 g/mol
Molecular Formula C21H16BrNO
Exact Mass 377.041527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EBVxqZTVnm
Name (E)-1-[5-(4-bromophenyl)-2-oxapent-4-enyl]-2-cyanonaphthalene
Appearance Pale yellow solid
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Exact Mass 377.041527138 u
Formula C21H16BrNO
InChI InChI=1S/C21H16BrNO/c22-19-11-7-16(8-12-19)4-3-13-24-15-21-18(14-23)10-9-17-5-1-2-6-20(17)21/h1-12H,13,15H2/b4-3+
InChIKey JNZCAGOVQDRMIU-ONEGZZNKSA-N
Instrument Name JEOL JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.202201051
Molecular Weight 378.269 g/mol
Quality 212
Reported Formula C21H16BrNO
SMILES C=1(C(=CC=C2C=CC=CC12)C#N)COC\C=C\C=1C=CC(=CC1)Br
SPLASH splash10-014i-0911000000-528ee388a5daa1ad5d05
Source of Spectrum K1-2022-9-(E)-6ad (DOI: 10.1002/ejoc.202201051)
Wiley ID 1898973