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6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile
SpectraBase Compound ID CXqqjEiEYEx
InChI InChI=1S/C16H16Cl3N3/c17-12-11(7-20)14(19)21-15(13(12)18)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 LIIUNCOQNQQGFQ-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 HuUxY0ZrV6H
Name 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile
CAS Registry Number 339165-88-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16Cl3N3
InChI InChI=1S/C16H16Cl3N3/c17-12-11(7-20)14(19)21-15(13(12)18)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 LIIUNCOQNQQGFQ-INLNGIGVSA-N
Molecular Weight 356.684 g/mol
SMILES N(c1nc(Cl)c(c(c1Cl)Cl)C#N)C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H]
SPLASH splash10-000i-9600000000-29fdf6acd340d4994ad0
Source of Spectrum AD-0-2532-0
Synonyms 6-(1-adamantylamino)-2,4,5-trichloro-3-pyridinecarbonitrile 6-(1-adamantylamino)-2,4,5-trichloro-pyridine-3-carbonitrile 6-(1-adamantylamino)-2,4,5-tris(chloranyl)pyridine-3-carbonitrile 6-(1-adamantylamino)-2,4,5-trichloropyridine-3-carbonitrile
Wiley ID 1422005