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(Z)-(1S,6S)-1-(2,2,6-Trimethylcyclohexyl)-2-buten-1-one
SpectraBase Compound ID ALJR7iSy53v
InChI InChI=1S/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7,10,12H,6,8-9H2,1-4H3/b7-5-/t10-,12+/m0/s1
InChIKey DDDIVAXBYDCLRR-VYELJELPSA-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 AK2nHvO9Mil
Name (Z)-(1S,6S)-1-(2,2,6-Trimethylcyclohexyl)-2-buten-1-one
Alternate Name(s) (Z)-1-[(1S,6S)-2,2,6-trimethylcyclohexyl]-2-buten-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7,10,12H,6,8-9H2,1-4H3/b7-5-/t10-,12+/m0/s1
InChIKey DDDIVAXBYDCLRR-VYELJELPSA-N
Molecular Weight 194.318 g/mol
SMILES [C@@]1(C(CCC[C@@]1(C)[H])(C)C)(C(\C=C/C)=O)[H]
SPLASH splash10-016r-9600000000-241b2428463c13608cae
Source of Spectrum F-59-522-6
Wiley ID 1676844