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6-Methyltricyclo[5.4.0.0(2,6)]undecan-3-one isomer
SpectraBase Compound ID CozMl0mYXNB
InChI InChI=1S/C12H18O/c1-12-7-6-10(13)11(12)8-4-2-3-5-9(8)12/h8-9,11H,2-7H2,1H3/t8?,9?,11-,12-/m0/s1
InChIKey LCGJGYSHVWVRIG-ZIUMLUTBSA-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 ERr4YxaJ7WM
Name 6-Methyltricyclo[5.4.0.0(2,6)]undecan-3-one isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-12-7-6-10(13)11(12)8-4-2-3-5-9(8)12/h8-9,11H,2-7H2,1H3/t8?,9?,11-,12-/m0/s1
InChIKey LCGJGYSHVWVRIG-ZIUMLUTBSA-N
Molecular Weight 178.275 g/mol
SMILES [C@]12([C@@](C(=O)CC2)([H])C2C1CCCC2)C
SPLASH splash10-0gba-9000000000-16bd9bc054538cf62aeb
Source of Spectrum F4-0-2323-2
Wiley ID 1618555