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1H-Cyclohepta[b]pyridine-3-carbonitrile, 4,5,6,7,8,9-hexahydro-2-amino-1-(2-chlorophenyl)-4,4-di(trifluoromethyl)-
SpectraBase Compound ID 7LcyJUuUjGe
InChI InChI=1S/C19H16ClF6N3/c20-13-7-4-5-9-15(13)29-14-8-3-1-2-6-11(14)17(18(21,22)23,19(24,25)26)12(10-27)16(29)28/h4-5,7,9H,1-3,6,8,28H2
InChIKey HHGNZNVPDMHHHP-UHFFFAOYSA-N
Mol Weight 435.8 g/mol
Molecular Formula C19H16ClF6N3
Exact Mass 435.093694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Q6gAKOSOHA
Name 1H-Cyclohepta[b]pyridine-3-carbonitrile, 4,5,6,7,8,9-hexahydro-2-amino-1-(2-chlorophenyl)-4,4-di(trifluoromethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16ClF6N3
InChI InChI=1S/C19H16ClF6N3/c20-13-7-4-5-9-15(13)29-14-8-3-1-2-6-11(14)17(18(21,22)23,19(24,25)26)12(10-27)16(29)28/h4-5,7,9H,1-3,6,8,28H2
InChIKey HHGNZNVPDMHHHP-UHFFFAOYSA-N
Molecular Weight 435.801 g/mol
SMILES NC1=C(C(C2=C(N1c1c(Cl)cccc1)CCCCC2)(C(F)(F)F)C(F)(F)F)C#N
SPLASH splash10-014i-4429200000-fa2a074d831b8589a3d3
Source of Spectrum AD-0-2532-0
Synonyms 2-Amino-1-(2-chlorophenyl)-4,4-bis(trifluoromethyl)-4,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile 2-Amino-1-(2-chlorophenyl)-4,4-bis(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile 2-Azanyl-1-(2-chlorophenyl)-4,4-bis(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Wiley ID 1430914