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Propanedioic acid, [5-(1,1-dimethylethyl)-2-(ethoxycarbonyl)cyclohexyl]-, diethyl ester, (1.alpha.,2.alpha.,5.beta.)-
SpectraBase Compound ID 66ojkjatcWc
InChI InChI=1S/C20H34O6/c1-7-24-17(21)14-11-10-13(20(4,5)6)12-15(14)16(18(22)25-8-2)19(23)26-9-3/h13-16H,7-12H2,1-6H3/t13-,14-,15+/m1/s1
InChIKey ZTKQVZMYLXRSOL-KFWWJZLASA-N
Mol Weight 370.5 g/mol
Molecular Formula C20H34O6
Exact Mass 370.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gn8xh5AGaHP
Name Propanedioic acid, [5-(1,1-dimethylethyl)-2-(ethoxycarbonyl)cyclohexyl]-, diethyl ester, (1.alpha.,2.alpha.,5.beta.)-
Alternate Name(s) Diethyl 2-[(1S,2R,5R)-5-tert-butyl-2-(ethoxycarbonyl)cyclohexyl]malonate Diethyl r-1-tert-butyl-t-3-cyclohexylmalonate Diethyl r-1-tert-butyl-t-4-carbethoxy-t-3-cyclohexlmalonate
CAS Registry Number 53154-24-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O6
InChI InChI=1S/C20H34O6/c1-7-24-17(21)14-11-10-13(20(4,5)6)12-15(14)16(18(22)25-8-2)19(23)26-9-3/h13-16H,7-12H2,1-6H3/t13-,14-,15+/m1/s1
InChIKey ZTKQVZMYLXRSOL-KFWWJZLASA-N
Molecular Weight 370.486 g/mol
SMILES [C@]1(C(C(=O)OCC)C(=O)OCC)([C@](C(=O)OCC)(CC[C@](C1)(C(C)(C)C)[H])[H])[H]
SPLASH splash10-03di-2953000000-5ee3147e76ef214587cf
Source of Spectrum J-40-39-0
Wiley ID 1354267