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2-(3-Ketocyclododecyl)malonic acid ditert-butyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(3-Ketocyclododecyl)malonic acid ditert-butyl ester
SpectraBase Compound ID AEF5bV1wkdE
InChI InChI=1S/C23H40O5/c1-22(2,3)27-20(25)19(21(26)28-23(4,5)6)17-14-12-10-8-7-9-11-13-15-18(24)16-17/h17,19H,7-16H2,1-6H3
InChIKey SZNBKDFDTMSLKD-UHFFFAOYSA-N
Mol Weight 396.6 g/mol
Molecular Formula C23H40O5
Exact Mass 396.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fq1pSbH5FfD
Name 2-(3-Ketocyclododecyl)malonic acid ditert-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.287574383 u
Formula C23H40O5
InChI InChI=1S/C23H40O5/c1-22(2,3)27-20(25)19(21(26)28-23(4,5)6)17-14-12-10-8-7-9-11-13-15-18(24)16-17/h17,19H,7-16H2,1-6H3
InChIKey SZNBKDFDTMSLKD-UHFFFAOYSA-N
Molecular Weight 396.568 g/mol
SMILES C(C(C(OC(C)(C)C)=O)C1CC(=O)CCCCCCCCC1)(OC(C)(C)C)=O