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4-(1-Adamantylamino)-2,5,6-trichloronicotinonitrile
SpectraBase Compound ID 3xDqs2bbk4E
InChI InChI=1S/C16H16Cl3N3/c17-12-13(11(7-20)14(18)21-15(12)19)22-16-4-8-1-9(5-16)3-10(2-8)6-16/h8-10H,1-6H2,(H,21,22)/t8-,9+,10-,16-
InChIKey NTZGFGYEJLPQNK-INLNGIGVSA-N
Mol Weight 356.68 g/mol
Molecular Formula C16H16Cl3N3
Exact Mass 355.040981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0XenaqUxSf
Name 4-(1-Adamantylamino)-2,5,6-trichloronicotinonitrile
CAS Registry Number 339060-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16Cl3N3
InChI InChI=1S/C16H16Cl3N3/c17-12-13(11(7-20)14(18)21-15(12)19)22-16-4-8-1-9(5-16)3-10(2-8)6-16/h8-10H,1-6H2,(H,21,22)/t8-,9+,10-,16-
InChIKey NTZGFGYEJLPQNK-INLNGIGVSA-N
Molecular Weight 356.684 g/mol
SMILES N(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])c1c(c(Cl)nc(c1Cl)Cl)C#N
SPLASH splash10-000i-3944000000-c795c6d5c01d683aba9c
Synonyms 4-(1-adamantylamino)-2,5,6-trichloro-3-pyridinecarbonitrile 4-(1-adamantylamino)-2,5,6-trichloro-pyridine-3-carbonitrile 4-(1-adamantylamino)-2,5,6-tris(chloranyl)pyridine-3-carbonitrile 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile 4-(1-adamantylamino)-2,5,6-trichloropyridine-3-carbonitrile
Wiley ID 1458817