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2-[4-(1-Adamantyl)phenyl]acetonitrile
SpectraBase Compound ID DpE6rtguO7a
InChI InChI=1S/C18H21N/c19-6-5-13-1-3-17(4-2-13)18-10-14-7-15(11-18)9-16(8-14)12-18/h1-4,14-16H,5,7-12H2
InChIKey HKOVCJFEAGVFPT-UHFFFAOYSA-N
Mol Weight 251.37 g/mol
Molecular Formula C18H21N
Exact Mass 251.1674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFUFrRmRijm
Name 2-[4-(1-Adamantyl)phenyl]acetonitrile
CAS Registry Number 117077-34-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N
InChI InChI=1S/C18H21N/c19-6-5-13-1-3-17(4-2-13)18-10-14-7-15(11-18)9-16(8-14)12-18/h1-4,14-16H,5,7-12H2
InChIKey HKOVCJFEAGVFPT-UHFFFAOYSA-N
Molecular Weight 251.373 g/mol
SMILES C12(c3ccc(cc3)CC#N)CC3CC(C1)CC(C2)C3
SPLASH splash10-0f6x-2930000000-76a4501e7ae0fe3a7fde
Source of Spectrum F-44-1903-0
Synonyms 2-[4-(1-Adamantyl)phenyl]ethanenitrile
Wiley ID 1254842