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1,1-Cyclopropanedicarboxylic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl methyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1,1-Cyclopropanedicarboxylic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl methyl ester
SpectraBase Compound ID KxbNhDkJfF9
InChI InChI=1S/C21H30O4/c1-13-11-14(19(2,3)4)16(15(12-13)20(5,6)7)25-18(23)21(9-10-21)17(22)24-8/h11-12H,9-10H2,1-8H3
InChIKey AYTOVDXYUVKZMX-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AKuSRKNm0Bb
Name 1,1-Cyclopropanedicarboxylic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-13-11-14(19(2,3)4)16(15(12-13)20(5,6)7)25-18(23)21(9-10-21)17(22)24-8/h11-12H,9-10H2,1-8H3
InChIKey AYTOVDXYUVKZMX-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES CC(C)(C)C1=CC(C)=CC(=C1OC(=O)C1(C(=O)OC)CC1)C(C)(C)C