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3,4,5-tri-Tert-butyl-1-oxo-2,4-cyclopentadien-2-carbonsaure-tert-butylester

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

3,4,5-tri-Tert-butyl-1-oxo-2,4-cyclopentadien-2-carbonsaure-tert-butylester
SpectraBase Compound ID 2Vfk8J8s4go
InChI InChI=1S/C22H36O3/c1-19(2,3)14-13(18(24)25-22(10,11)12)17(23)16(21(7,8)9)15(14)20(4,5)6/h1-12H3
InChIKey JFBTYFXHGOTNJL-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CuR3b8ezvkY
Name 3,4,5-tri-Tert-butyl-1-oxo-2,4-cyclopentadien-2-carbonsaure-tert-butylester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.266445016 u
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-19(2,3)14-13(18(24)25-22(10,11)12)17(23)16(21(7,8)9)15(14)20(4,5)6/h1-12H3
InChIKey JFBTYFXHGOTNJL-UHFFFAOYSA-N
Molecular Weight 348.527 g/mol
SMILES C1(=C(C(C(C)(C)C)=C(C1=O)C(C)(C)C)C(C)(C)C)C(OC(C)(C)C)=O