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4-Oxo-2-adamantanecarbonitrile
SpectraBase Compound ID O6jxHQFWpN
InChI InChI=1S/C11H13NO/c12-5-10-7-1-6-2-8(4-7)11(13)9(10)3-6/h6-10H,1-4H2/t6-,7+,8-,9+,10?/m1/s1
InChIKey CIDMJAUKOQQHLO-WUQLENLQSA-N
Mol Weight 175.23 g/mol
Molecular Formula C11H13NO
Exact Mass 175.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0mTC7YX0GJ
Name 4-Oxo-2-adamantanecarbonitrile
CAS Registry Number 77172-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO
InChI InChI=1S/C11H13NO/c12-5-10-7-1-6-2-8(4-7)11(13)9(10)3-6/h6-10H,1-4H2/t6-,7+,8-,9+,10?/m1/s1
InChIKey CIDMJAUKOQQHLO-WUQLENLQSA-N
Molecular Weight 175.231 g/mol
SMILES [C@]12(C([C@@]3(C[C@](C2)(C[C@](C1C#N)(C3)[H])[H])[H])=O)[H]
SPLASH splash10-004i-9300000000-ab8234c90d019a9ace8a
Source of Spectrum AD-0-2532-0
Synonyms 4-ketoadamantane-2-carbonitrile 4-Oxidanylideneadamantane-2-carbonitrile 4-Oxoadamantane-2-carbonitrile Adamantane-2-carbonitrile, 4-oxo-
Wiley ID 1420415