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Acetonitrile, 2-(1-adamantyl)-2-iodo-
SpectraBase Compound ID BVp6vEmTckd
InChI InChI=1S/C12H16IN/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11H,1-6H2/t8-,9+,10-,11?,12-
InChIKey NEIBESZGZBHCSZ-IFCYKNESSA-N
Mol Weight 301.17 g/mol
Molecular Formula C12H16IN
Exact Mass 301.032745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26Bx6aOgRe4
Name Acetonitrile, 2-(1-adamantyl)-2-iodo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16IN
InChI InChI=1S/C12H16IN/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11H,1-6H2/t8-,9+,10-,11?,12-
InChIKey NEIBESZGZBHCSZ-IFCYKNESSA-N
Molecular Weight 301.171 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(C#N)I
SPLASH splash10-00dl-6900000000-f7cbec1fb48baf9fd2c7
Source of Spectrum AD-0-2532-0
Synonyms 1-Adamantyl(iodo)acetonitrile 2-(1-adamantyl)-2-iodanyl-ethanenitrile 2-(1-adamantyl)-2-iodo-acetonitrile
Wiley ID 1433388