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Propanedioic acid, [[1-(ethoxycarbonyl)-2-oxocyclohexyl]methyl]-, bis(1,1-dimethylethyl) ester, (R)-
SpectraBase Compound ID 7C5bsdszlXo
InChI InChI=1S/C21H34O7/c1-8-26-18(25)21(12-10-9-11-15(21)22)13-14(16(23)27-19(2,3)4)17(24)28-20(5,6)7/h14H,8-13H2,1-7H3/t21-/m1/s1
InChIKey UZDSFWQEWLKBOR-OAQYLSRUSA-N
Mol Weight 398.5 g/mol
Molecular Formula C21H34O7
Exact Mass 398.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Cpo0ejfMkp
Name Propanedioic acid, [[1-(ethoxycarbonyl)-2-oxocyclohexyl]methyl]-, bis(1,1-dimethylethyl) ester, (R)-
Alternate Name(s) di(tert-butyl) 2-{[(1R)-1-(ethoxycarbonyl)-2-oxocyclohexyl]methyl}malonate Ethyl cyclohexanone-2-(2,2-dicarbo-5-tutoxy-ethyl)-2-carboxylate
CAS Registry Number 104316-14-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O7
InChI InChI=1S/C21H34O7/c1-8-26-18(25)21(12-10-9-11-15(21)22)13-14(16(23)27-19(2,3)4)17(24)28-20(5,6)7/h14H,8-13H2,1-7H3/t21-/m1/s1
InChIKey UZDSFWQEWLKBOR-OAQYLSRUSA-N
Molecular Weight 398.496 g/mol
SMILES [C@]1(CC(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)(C(=O)OCC)C(=O)CCCC1
SPLASH splash10-0a4i-8390000000-eff51ce05a87176c027a
Source of Spectrum AH-119-1166-3
Wiley ID 1368377