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(2RS,6SR)-2-[(SR)-3-furylhydroxymethyl]-2,6-dimethylcyclohexanone
SpectraBase Compound ID Fd3lKj6oryC
InChI InChI=1S/C13H18O3/c1-9-4-3-6-13(2,11(9)14)12(15)10-5-7-16-8-10/h5,7-9,12,15H,3-4,6H2,1-2H3
InChIKey SZNJJLDEZYKJIQ-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HDcXAaqGoC
Name (2RS,6SR)-2-[(SR)-3-furylhydroxymethyl]-2,6-dimethylcyclohexanone
Alternate Name(s) (2RS,6RS)-2-[(SR)-3-furylhydroxymethyl]-2,6-dimethylcyclohexanone 2-[3-furyl(hydroxy)methyl]-2,6-dimethylcyclohexanone
CAS Registry Number 136587-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9-4-3-6-13(2,11(9)14)12(15)10-5-7-16-8-10/h5,7-9,12,15H,3-4,6H2,1-2H3
InChIKey SZNJJLDEZYKJIQ-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES OC(C1(C(=O)C(C)CCC1)C)c1cocc1
SPLASH splash10-01ta-7900000000-4936027c068b91b3cf76
Source of Spectrum J-56-7088-2
Wiley ID 1222651