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6-(1-adamantylsulfanyl)pyridine-3-carbonitrile
SpectraBase Compound ID K6IMtpJMiL0
InChI InChI=1S/C16H18N2S/c17-9-11-1-2-15(18-10-11)19-16-6-12-3-13(7-16)5-14(4-12)8-16/h1-2,10,12-14H,3-8H2/t12-,13+,14?,16-
InChIKey CNJQINONVNAYBL-NNEUKDBRSA-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 EVa5SsIX7m7
Name 6-(1-adamantylsulfanyl)pyridine-3-carbonitrile
CAS Registry Number 101392-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2S
InChI InChI=1S/C16H18N2S/c17-9-11-1-2-15(18-10-11)19-16-6-12-3-13(7-16)5-14(4-12)8-16/h1-2,10,12-14H,3-8H2/t12-,13+,14?,16-
InChIKey CNJQINONVNAYBL-NNEUKDBRSA-N
Molecular Weight 270.394 g/mol
SMILES [C@]12(Sc3ncc(C#N)cc3)CC3C[C@](C1)(C[C@](C2)(C3)[H])[H]
SPLASH splash10-0cdi-7900000000-e7bd1ff7beab2e707912
Source of Spectrum Y-22-774-6
Synonyms 6-(1-adamantylthio)-3-pyridinecarbonitrile
Wiley ID 1274462