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4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
SpectraBase Compound ID DDWO1FNGm8E
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3/t12-/m0/s1
InChIKey JHJCHCSUEGPIGE-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 FwgbXMQsgmm
Name 4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]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/h6,12H,5,7-9H2,1-4H3/t12-/m0/s1
InChIKey JHJCHCSUEGPIGE-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 C1=C([C@@](C(CC1)(C)C)(CCC(C)=O)[H])C
SPLASH splash10-00dv-9800000000-04f563ad26ca1d7c41ed
Source of Spectrum ACI-60-SM45-M10, 4
Wiley ID 1882459