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7-tert-Butyl-2,4-bis(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SpectraBase Compound ID L3xUKzHEo4l
InChI InChI=1S/C13H10F6N4/c1-11(2,3)23-5-6(4-20)7-8(12(14,15)16)21-10(13(17,18)19)22-9(7)23/h5H,1-3H3
InChIKey ROIGHMRWAWPPOY-UHFFFAOYSA-N
Mol Weight 336.24 g/mol
Molecular Formula C13H10F6N4
Exact Mass 336.080965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4M6rsW0Kmd
Name 7-tert-Butyl-2,4-bis(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Alternate Name(s) 7-tert-Butyl-2,4-bis(trifluoromethyl)-5-pyrrolo[2,3-d]pyrimidinecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10F6N4
InChI InChI=1S/C13H10F6N4/c1-11(2,3)23-5-6(4-20)7-8(12(14,15)16)21-10(13(17,18)19)22-9(7)23/h5H,1-3H3
InChIKey ROIGHMRWAWPPOY-UHFFFAOYSA-N
Molecular Weight 336.241 g/mol
SMILES c12c(c(C#N)c[n]2C(C)(C)C)c(C(F)(F)F)nc(n1)C(F)(F)F
SPLASH splash10-0a4r-9027000000-e7429695e673142d251f
Source of Spectrum F4-41-1855-19
Wiley ID 1672355