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3-Pyridinecarbonitrile, 5-(tricyclo[3.3.1.13,7]dec-1-ylthio)-
SpectraBase Compound ID 6MLQIWvKf6O
InChI InChI=1S/C16H18N2S/c17-8-14-4-15(10-18-9-14)19-16-5-11-1-12(6-16)3-13(2-11)7-16/h4,9-13H,1-3,5-7H2/t11-,12+,13?,16-
InChIKey FACKESQYWDCLKZ-LVFCDQSBSA-N
Mol Weight 270.39 g/mol
Molecular Formula C16H18N2S
Exact Mass 270.11907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NYQQdZUBzk
Name 3-Pyridinecarbonitrile, 5-(tricyclo[3.3.1.13,7]dec-1-ylthio)-
Alternate Name(s) 5-(1-Adamantylsulfanyl)nicotinonitrile 5-(1-Adamantylthio)-nicotinonitrile
CAS Registry Number 101392-29-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2S
InChI InChI=1S/C16H18N2S/c17-8-14-4-15(10-18-9-14)19-16-5-11-1-12(6-16)3-13(2-11)7-16/h4,9-13H,1-3,5-7H2/t11-,12+,13?,16-
InChIKey FACKESQYWDCLKZ-LVFCDQSBSA-N
Molecular Weight 270.394 g/mol
SMILES [C@]12(Sc3cc(C#N)cnc3)CC3C[C@](C1)(C[C@](C2)(C3)[H])[H]
SPLASH splash10-000i-4900000000-0a46a954b46f2e4f16d8
Source of Spectrum Y-22-773-7
Wiley ID 1274465