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1,3-Dimethyl-2-adamantanone
SpectraBase Compound ID 5sStvLnzeF1
InChI InChI=1S/C12H18O/c1-11-4-8-3-9(5-11)7-12(2,6-8)10(11)13/h8-9H,3-7H2,1-2H3/t8-,9?,11-,12+
InChIKey JRWXFGRXOSVICS-ZZNNRMMSSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2e5sl6hQxpQ
Name 1,3-Dimethyl-2-adamantanone
CAS Registry Number 52719-85-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-11-4-8-3-9(5-11)7-12(2,6-8)10(11)13/h8-9H,3-7H2,1-2H3/t8-,9?,11-,12+
InChIKey JRWXFGRXOSVICS-ZZNNRMMSSA-N
Molecular Weight 178.275 g/mol
SMILES [C@]12(C([C@]3(C)CC(C2)C[C@@](C3)(C1)[H])=O)C
SPLASH splash10-002f-8900000000-6d5b56e3440f8a57df5e
Source of Spectrum AC-1984-263-0
Synonyms 1,3-Dimethyladamantan-2-one
Wiley ID 1174650