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1-(Ethoxycarbonyl)-2,2-dimethyl-6-oxo-1-cyclohexaneacetic acid
SpectraBase Compound ID 2oEUxYQphA1
InChI InChI=1S/C13H20O5/c1-4-18-11(17)13(8-10(15)16)9(14)6-5-7-12(13,2)3/h4-8H2,1-3H3,(H,15,16)
InChIKey LQAPHQQQWDZCDR-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdcCmBmEJSy
Name 1-(Ethoxycarbonyl)-2,2-dimethyl-6-oxo-1-cyclohexaneacetic acid
Alternate Name(s) [1-(ethoxycarbonyl)-2,2-dimethyl-6-oxocyclohexyl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-4-18-11(17)13(8-10(15)16)9(14)6-5-7-12(13,2)3/h4-8H2,1-3H3,(H,15,16)
InChIKey LQAPHQQQWDZCDR-UHFFFAOYSA-N
Molecular Weight 256.298 g/mol
SMILES OC(CC1(C(CCCC1=O)(C)C)C(=O)OCC)=O
SPLASH splash10-066u-9200000000-fc7e7ba97f0360211f2a
Source of Spectrum OV-1-225-23
Wiley ID 1547546