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2,6-Bis(trifluoromethyl)-9-(3,4,5-trimethoxyphenyl)-9H-purine

View entire compound with spectra: 1 MS (GC)

2,6-Bis(trifluoromethyl)-9-(3,4,5-trimethoxyphenyl)-9H-purine
SpectraBase Compound ID C0CKoLT8skW
InChI InChI=1S/C16H12F6N4O3/c1-27-8-4-7(5-9(28-2)11(8)29-3)26-6-23-10-12(15(17,18)19)24-14(16(20,21)22)25-13(10)26/h4-6H,1-3H3
InChIKey CPLUCXQWXZCFCD-UHFFFAOYSA-N
Mol Weight 422.29 g/mol
Molecular Formula C16H12F6N4O3
Exact Mass 422.081359 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6NxbAj8eWe
Name 2,6-Bis(trifluoromethyl)-9-(3,4,5-trimethoxyphenyl)-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12F6N4O3
InChI InChI=1S/C16H12F6N4O3/c1-27-8-4-7(5-9(28-2)11(8)29-3)26-6-23-10-12(15(17,18)19)24-14(16(20,21)22)25-13(10)26/h4-6H,1-3H3
InChIKey CPLUCXQWXZCFCD-UHFFFAOYSA-N
Molecular Weight 422.287 g/mol
SMILES c12c(c(C(F)(F)F)nc(n2)C(F)(F)F)nc[n]1-c1cc(OC)c(c(c1)OC)OC
SPLASH splash10-05fr-0001900000-01a7b0d43e64f8f5c7f3
Source of Spectrum F-67-8327-10e
Wiley ID 1713572