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4-((R)-2,2-Dimethyl-6-methylene-cyclohexyl)-butan-2-one
SpectraBase Compound ID F8SQZ29Savm
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h12H,1,5-9H2,2-4H3/t12-/m0/s1
InChIKey ZLPHULOLXDKCND-LBPRGKRZSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Mr1htIGlxg
Name 4-[(1R)-2,2-dimethyl-6-methylene-cyclohexyl]butan-2-one
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h12H,1,5-9H2,2-4H3/t12-/m0/s1
InChIKey ZLPHULOLXDKCND-LBPRGKRZSA-N
Instrument Name Agilent GC 7820A-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.202101228
Molecular Weight 194.318 g/mol
SMILES C1C([C@@](C(CC1)(C)C)(CCC(C)=O)[H])=C
SPLASH splash10-05tu-5900000000-424ffc69d7ca697b4cda
Source of Spectrum ACI-60-SM45-M8, 3
Wiley ID 1882473