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4-(5-Bromo-2-methoxybenzoyl)benzonitrile
SpectraBase Compound ID 9ZRJU7yEkPA
InChI InChI=1S/C15H10BrNO2/c1-19-14-7-6-12(16)8-13(14)15(18)11-4-2-10(9-17)3-5-11/h2-8H,1H3
InChIKey HQOVFSZAKDBDBQ-UHFFFAOYSA-N
Mol Weight 316.15 g/mol
Molecular Formula C15H10BrNO2
Exact Mass 314.989492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVaNnhOTXYQ
Name 4-(5-Bromo-2-methoxybenzoyl)benzonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10BrNO2
InChI InChI=1S/C15H10BrNO2/c1-19-14-7-6-12(16)8-13(14)15(18)11-4-2-10(9-17)3-5-11/h2-8H,1H3
InChIKey HQOVFSZAKDBDBQ-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102805
Molecular Weight 316.154 g/mol
Quality 111
Reported Formula C15H10O2NBr
SMILES C=1(Br)C=CC(=C(C1)C(=O)C1=CC=C(C=C1)C#N)OC
SPLASH splash10-03di-0691000000-2c4652b4cd39dbe9c4c4
Source of Spectrum QE-27-SM53-12ae (DOI: 10.1002/chem.202102805)
Wiley ID 1902214