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1-Adamantaneglycolonitrile
SpectraBase Compound ID 9rQzj4WA8ye
InChI InChI=1S/C12H17NO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,14H,1-6H2/t8-,9+,10-,11?,12-
InChIKey YAOMYQQPLHNQHR-IFCYKNESSA-N
Mol Weight 191.27 g/mol
Molecular Formula C12H17NO
Exact Mass 191.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VviPyLXXkC
Name 1-Adamantaneglycolonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO
InChI InChI=1S/C12H17NO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,14H,1-6H2/t8-,9+,10-,11?,12-
InChIKey YAOMYQQPLHNQHR-IFCYKNESSA-N
Literature Reference DOI 10.1021/ol1002847
Molecular Weight 191.274 g/mol
SMILES OC(C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])C#N
SPLASH splash10-000i-1900000000-1edff050627e2b1155eb
Source of Spectrum A1-12-1548/SMS3-arb1
Synonyms 2-((3r,5r,7r)-adamantan-1-yl)-2-hydroxyacetonitrile 2-(1-adamantyl)-2-hydroxyacetonitrile 2-(1-adamantyl)-2-oxidanyl-ethanenitrile
Wiley ID 1752054