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(2S,3R)-3-Isopropenyl-6-methyl-2-(3'-oxobutyl)-5-cyclohexen-1-one
SpectraBase Compound ID B4YhUSTRglQ
InChI InChI=1S/C14H20O2/c1-9(2)12-7-5-10(3)14(16)13(12)8-6-11(4)15/h5,12-13H,1,6-8H2,2-4H3/t12-,13-/m0/s1
InChIKey NSZPFAQJGCROFM-STQMWFEESA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9AuXFIS4xm
Name (2S,3R)-3-Isopropenyl-6-methyl-2-(3'-oxobutyl)-5-cyclohexen-1-one
Alternate Name(s) (5R,6S)-5-isopropenyl-2-methyl-6-(3-oxobutyl)-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-9(2)12-7-5-10(3)14(16)13(12)8-6-11(4)15/h5,12-13H,1,6-8H2,2-4H3/t12-,13-/m0/s1
InChIKey NSZPFAQJGCROFM-STQMWFEESA-N
Molecular Weight 220.312 g/mol
SMILES C1([C@]([C@](C(=C)C)(CC=C1C)[H])(CCC(=O)C)[H])=O
SPLASH splash10-008a-3900000000-5bb39311ecfc5de35659
Source of Spectrum F-54-5629-13
Wiley ID 806938