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7,7-Dimethyl-1-(1-methylethyl)tricyclo[2.2.1.0(2,6)]heptan-3-one
SpectraBase Compound ID GOBZzkk16Us
InChI InChI=1S/C12H18O/c1-6(2)12-7-5-8(11(12,3)4)10(13)9(7)12/h6-9H,5H2,1-4H3/t7-,8+,9?,12?/m0/s1
InChIKey MKVWMYBNRZRUKZ-CBALSNJHSA-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 Iax6MIUCt7A
Name 7,7-Dimethyl-1-(1-methylethyl)tricyclo[2.2.1.0(2,6)]heptan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-6(2)12-7-5-8(11(12,3)4)10(13)9(7)12/h6-9H,5H2,1-4H3/t7-,8+,9?,12?/m0/s1
InChIKey MKVWMYBNRZRUKZ-CBALSNJHSA-N
Literature Reference DOI 10.1002/cber.19811140423
Molecular Weight 178.275 g/mol
SMILES C12C([C@@]3(C(C2([C@]1(C3)[H])C(C)C)(C)C)[H])=O
SPLASH splash10-052b-9000000000-8284508b6efbe6fa9161
Source of Spectrum K-114-1475-1475_3
Synonyms 1-isopropyl-7,7-dimethyltricyclo[2.2.1.0(2,6)]heptan-3-one
Wiley ID 1792854