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6-(3-Bromophenyl)-9-phenyl-9H-purine
SpectraBase Compound ID IenHeKDr8bM
InChI InChI=1S/C17H11BrN4/c18-13-6-4-5-12(9-13)15-16-17(20-10-19-15)22(11-21-16)14-7-2-1-3-8-14/h1-11H
InChIKey ULIQFCMCKPZSHA-UHFFFAOYSA-N
Mol Weight 351.21 g/mol
Molecular Formula C17H11BrN4
Exact Mass 350.016709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtUxUnaEAEV
Name 6-(3-Bromophenyl)-9-phenyl-9H-purine
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.016709370 u
Formula C17H11BrN4
InChI InChI=1S/C17H11BrN4/c18-13-6-4-5-12(9-13)15-16-17(20-10-19-15)22(11-21-16)14-7-2-1-3-8-14/h1-11H
InChIKey ULIQFCMCKPZSHA-UHFFFAOYSA-N
Instrument Name JEOL AccuTof
Ionization Type EI
Literature Reference DOI 10.1002/anie.201609014
Molecular Weight 351.207 g/mol
Quality 343
Reported Formula C17H11(79)BrN4
SMILES C=1(Br)C=C(C=CC1)C1=C2C(=NC=N1)N(C=N2)C1=CC=CC=C1
SPLASH splash10-0udi-2019000000-0f326493a366b162975e
Source of Spectrum ACI-56-SM10-2d (DOI: 10.1002/anie.201609014)
Wiley ID 1892845