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5H-Cyclohepta[b]pyridine-3-carbonitrile, 2-amino-6,7,8,9-tetrahydro-4-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID JAv6eGMTTL0
InChI InChI=1S/C18H16F3N3O/c19-18(20,21)25-12-8-6-11(7-9-12)16-13-4-2-1-3-5-15(13)24-17(23)14(16)10-22/h6-9H,1-5H2,(H2,23,24)
InChIKey LSFZBTZDYQZHLK-UHFFFAOYSA-N
Mol Weight 347.34 g/mol
Molecular Formula C18H16F3N3O
Exact Mass 347.124547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6S27vR1l6D
Name 5H-Cyclohepta[b]pyridine-3-carbonitrile, 2-amino-6,7,8,9-tetrahydro-4-[4-(trifluoromethoxy)phenyl]-
Alternate Name(s) 2-Azanyl-4-[4-(trifluoromethyloxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16F3N3O
InChI InChI=1S/C18H16F3N3O/c19-18(20,21)25-12-8-6-11(7-9-12)16-13-4-2-1-3-5-15(13)24-17(23)14(16)10-22/h6-9H,1-5H2,(H2,23,24)
InChIKey LSFZBTZDYQZHLK-UHFFFAOYSA-N
Molecular Weight 347.341 g/mol
SMILES Nc1c(c(c2c(CCCCC2)n1)-c1ccc(OC(F)(F)F)cc1)C#N
SPLASH splash10-014j-7659000000-5a91a9b0261a23d24ca5
Source of Spectrum IY-1-4520-3
Wiley ID 1653186