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4-(1,1-Difluorobut-3-enyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine
SpectraBase Compound ID KG82hdrOzQL
InChI InChI=1S/C18H17F2N3/c1-4-10-18(19,20)15-11-12(2)21-17-16(15)13(3)22-23(17)14-8-6-5-7-9-14/h4-9,11H,1,10H2,2-3H3
InChIKey RUFNXEBWJBEFQO-UHFFFAOYSA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H17F2N3
Exact Mass 313.139054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Cnrrng8DFr
Name 4-(1,1-Difluorobut-3-enyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17F2N3
InChI InChI=1S/C18H17F2N3/c1-4-10-18(19,20)15-11-12(2)21-17-16(15)13(3)22-23(17)14-8-6-5-7-9-14/h4-9,11H,1,10H2,2-3H3
InChIKey RUFNXEBWJBEFQO-UHFFFAOYSA-N
Molecular Weight 313.352 g/mol
SMILES c12[n](nc(c2c(C(F)(F)CC=C)cc(n1)C)C)-c1ccccc1
SPLASH splash10-03k9-0049000000-419b4bfca51be3ca26a9
Source of Spectrum F-67-5672-13a
Wiley ID 1687211