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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)

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SpectraBase Spectrum ID CbZI1uqPqIv
Name Tricyclo[3.3.1.1(3,7)]decane-1-carbonitrile
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/asia.201100493
Molecular Weight 161.248 g/mol
SMILES C1[C@]2(C[C@]3(C[C@@]1(CC(C2)(C3)C#N)[H])[H])[H]
SPLASH splash10-001l-4900000000-6bb90c2e721557811375
Source of Spectrum CAJ-7-174-16a
Synonyms 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
Wiley ID 1773109