For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
7-tert-Butyl-2,4-bis(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SpectraBase Compound ID 3OMmTNKrJZL
InChI InChI=1S/C13H12F4N4/c1-13(2,3)21-5-6(4-18)7-8(9(14)15)19-11(10(16)17)20-12(7)21/h5,9-10H,1-3H3
InChIKey XJAVWAMUAHVPSK-UHFFFAOYSA-N
Mol Weight 300.26 g/mol
Molecular Formula C13H12F4N4
Exact Mass 300.099809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GUJu3vUlg88
Name 7-tert-Butyl-2,4-bis(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F4N4
InChI InChI=1S/C13H12F4N4/c1-13(2,3)21-5-6(4-18)7-8(9(14)15)19-11(10(16)17)20-12(7)21/h5,9-10H,1-3H3
InChIKey XJAVWAMUAHVPSK-UHFFFAOYSA-N
Molecular Weight 300.261 g/mol
SMILES c12c(c(C#N)c[n]2C(C)(C)C)c(C(F)F)nc(n1)C(F)F
SPLASH splash10-0f6t-2093000000-66236ec43aa7a9122328
Source of Spectrum F4-41-3972-14r
Wiley ID 1673181