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(+)(5S)-5-Acetyl-2,3,4,4-tetramethyl-1-cyclohexene
SpectraBase Compound ID 9Cut9v1nkWn
InChI InChI=1S/C12H20O/c1-8-6-7-11(10(3)13)12(4,5)9(8)2/h6,9,11H,7H2,1-5H3/t9?,11-/m1/s1
InChIKey XDTCLKIOMPGRKB-HCCKASOXSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dyvUaIxk7a
Name (+)(5S)-5-Acetyl-2,3,4,4-tetramethyl-1-cyclohexene
Alternate Name(s) 1-((1S)-4,5,6,6-tetramethylcyclohex-3-en-1-yl)ethan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-8-6-7-11(10(3)13)12(4,5)9(8)2/h6,9,11H,7H2,1-5H3/t9?,11-/m1/s1
InChIKey XDTCLKIOMPGRKB-HCCKASOXSA-N
Literature Reference DOI 10.1002/cber.19781110922
Molecular Weight 180.291 g/mol
SMILES C1(C([C@](CC=C1C)(C(=O)C)[H])(C)C)C
SPLASH splash10-008i-1900000000-d8fdf7a20a547d1db7cc
Source of Spectrum K-111-3188-3
Wiley ID 1794276