For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Adamantane-1-carbonitrile
SpectraBase Compound ID A8tq6qgr1u8
InChI InChI=1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2/t8-,9+,10-,11-
InChIKey FQFZASRJFRAEIH-BIBSGERRSA-N
Mol Weight 161.25 g/mol
Molecular Formula C11H15N
Exact Mass 161.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6NB4DYPqHxl
Name Tricyclo[3.3.1.1(3,7)]decane-1-carbonitrile
Alternate Name(s) 1-Adamantane carboxylic acid nitrile 1-Adamantylnitrile 1-Adamantanecarbonitrile 1-Adamantyl cyanide Adamantane-1-carbonitrile Tricyclo[3.3.1.13,7]decane-1-carbonitrile 1-Cyanoadamantane Adamantane,1-cyano (3r,5r,7r)-adamantane-1-carbonitrile EINECS 245-413-9
CAS Registry Number 23074-42-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15N
InChI InChI=1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2/t8-,9+,10-,11-
InChIKey FQFZASRJFRAEIH-BIBSGERRSA-N
Literature Reference DOI 10.1002/anie.201412256
Molecular Weight 161.248 g/mol
SMILES C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])C#N)[H]
SPLASH splash10-0036-9500000000-3ec53bf955fdc1a37fe2
Source of Spectrum ACI-54-4241/SMS19-3t
Wiley ID 1760535