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4-Chloro-7-(4-methylphenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine
SpectraBase Compound ID 7vG9mbpWntv
InChI InChI=1S/C25H18ClN3/c1-17-12-14-20(15-13-17)29-23(19-10-6-3-7-11-19)21(18-8-4-2-5-9-18)22-24(26)27-16-28-25(22)29/h2-16H,1H3
InChIKey DPTDSDGPGIFMFX-UHFFFAOYSA-N
Mol Weight 395.89 g/mol
Molecular Formula C25H18ClN3
Exact Mass 395.118925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ruCZZnqVqV
Name 4-Chloro-7-(4-methylphenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine
Alternate Name(s) 4-chloro-7-(4-methylphenyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine 4-chloranyl-7-(4-methylphenyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18ClN3
InChI InChI=1S/C25H18ClN3/c1-17-12-14-20(15-13-17)29-23(19-10-6-3-7-11-19)21(18-8-4-2-5-9-18)22-24(26)27-16-28-25(22)29/h2-16H,1H3
InChIKey DPTDSDGPGIFMFX-UHFFFAOYSA-N
Molecular Weight 395.893 g/mol
SMILES c12[n](c(c(c2c(Cl)ncn1)-c1ccccc1)-c1ccccc1)-c1ccc(cc1)C
SPLASH splash10-0002-0009000000-9e3b84ba19fe83f90fce
Source of Spectrum F2-46-6079-3a
Wiley ID 1689939