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1-tert-Butyl-6-ethyl-4-(nonafluorobutyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SpectraBase Compound ID Cs3H0ajTiac
InChI InChI=1S/C18H16F9N3/c1-5-10-6-11(15(19,20)16(21,22)17(23,24)18(25,26)27)12-9(7-28)8-30(13(12)29-10)14(2,3)4/h6,8H,5H2,1-4H3
InChIKey LSLHGWBYAUGPTL-UHFFFAOYSA-N
Mol Weight 445.33 g/mol
Molecular Formula C18H16F9N3
Exact Mass 445.120051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ace03lLEjbo
Name 1-tert-Butyl-6-ethyl-4-(nonafluorobutyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16F9N3
InChI InChI=1S/C18H16F9N3/c1-5-10-6-11(15(19,20)16(21,22)17(23,24)18(25,26)27)12-9(7-28)8-30(13(12)29-10)14(2,3)4/h6,8H,5H2,1-4H3
InChIKey LSLHGWBYAUGPTL-UHFFFAOYSA-N
Molecular Weight 445.333 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(c1c2c([n](C(C)(C)C)cc2C#N)nc(c1)CC)(F)F)(F)F
SPLASH splash10-000i-0019100000-adde0483f9c628bfcc08
Source of Spectrum F4-41-1855-12h
Wiley ID 1672360