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2-((1R,2S)-2-Methoxymethyl-5-oxo-cyclohex-3-enyl)-2-methyl-propionic acid methyl ester
SpectraBase Compound ID 5mOxd3q9jVE
InChI InChI=1S/C13H20O4/c1-13(2,12(15)17-4)11-7-10(14)6-5-9(11)8-16-3/h5-6,9,11H,7-8H2,1-4H3/t9-,11-/m1/s1
InChIKey MDSQWTGFVJHSET-MWLCHTKSSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qqZcxYHXQ3
Name 2-((1R,2S)-2-Methoxymethyl-5-oxo-cyclohex-3-enyl)-2-methyl-propionic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-13(2,12(15)17-4)11-7-10(14)6-5-9(11)8-16-3/h5-6,9,11H,7-8H2,1-4H3/t9-,11-/m1/s1
InChIKey MDSQWTGFVJHSET-MWLCHTKSSA-N
Molecular Weight 240.299 g/mol
SMILES C([C@@]1(CC(=O)C=C[C@@]1(COC)[H])[H])(C(=O)OC)(C)C
SPLASH splash10-05bf-0960000000-096121fb8111b356474f
Source of Spectrum C-122-2733-10
Synonyms Methyl 2-[2'-(methoxymethyl)-5'-oxocyclohex-3'-enyl]-2-methylpropionate 2-[(1R,2S)-2-(methoxymethyl)-5-oxo-1-cyclohex-3-enyl]-2-methylpropanoic acid methyl ester Methyl 2-[(1R,2S)-2-(methoxymethyl)-5-oxocyclohex-3-en-1-yl]-2-methylpropanoate Methyl 2-[(1R,2S)-2-(methoxymethyl)-5-oxo-cyclohex-3-en-1-yl]-2-methyl-propanoate Methyl 2-[(1R,2S)-2-(methoxymethyl)-5-oxidanylidene-cyclohex-3-en-1-yl]-2-methyl-propanoate
Wiley ID 1700550