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7-(tert-butyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
SpectraBase Compound ID EnPcl75C0BQ
InChI InChI=1S/C16H17N3/c1-16(2,3)19-10-14(12-7-5-4-6-8-12)13-9-17-11-18-15(13)19/h4-11H,1-3H3
InChIKey WCRLLNQMSHHRDS-UHFFFAOYSA-N
Mol Weight 251.33 g/mol
Molecular Formula C16H17N3
Exact Mass 251.142248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uqVNbJUX1d
Name 7-(tert-butyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3
InChI InChI=1S/C16H17N3/c1-16(2,3)19-10-14(12-7-5-4-6-8-12)13-9-17-11-18-15(13)19/h4-11H,1-3H3
InChIKey WCRLLNQMSHHRDS-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2016.05.081
Molecular Weight 251.333 g/mol
SMILES c12c(ncnc2)[n](cc1-c1ccccc1)C(C)(C)C
SPLASH splash10-0002-1920000000-66fa73e57148c874091c
Source of Spectrum Gund S.H., et al. Tetrahedron, 10.1016/j.tet.2016.05.081
Wiley ID 1816493