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1-tert-Butyl-4,6-bis(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SpectraBase Compound ID K2cgneleEVa
InChI InChI=1S/C14H11F6N3/c1-12(2,3)23-6-7(5-21)10-8(13(15,16)17)4-9(14(18,19)20)22-11(10)23/h4,6H,1-3H3
InChIKey MCIOEDSQNXCDRH-UHFFFAOYSA-N
Mol Weight 335.25 g/mol
Molecular Formula C14H11F6N3
Exact Mass 335.085716 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvLI9PbTQHQ
Name 1-tert-Butyl-4,6-bis(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11F6N3
InChI InChI=1S/C14H11F6N3/c1-12(2,3)23-6-7(5-21)10-8(13(15,16)17)4-9(14(18,19)20)22-11(10)23/h4,6H,1-3H3
InChIKey MCIOEDSQNXCDRH-UHFFFAOYSA-N
Molecular Weight 335.253 g/mol
SMILES c12[n](cc(c2c(C(F)(F)F)cc(n1)C(F)(F)F)C#N)C(C)(C)C
SPLASH splash10-00di-2092000000-ebbe999126893c4d29e6
Source of Spectrum F4-41-1854-12a
Synonyms 1-tert-Butyl-4,6-bis(trifluoromethyl)-3-pyrrolo[2,3-b]pyridinecarbonitrile
Wiley ID 1672367