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1,2-Cyclohexanedicarboxylic acid, butyl 2-isopropylphenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, butyl 2-isopropylphenyl ester
SpectraBase Compound ID 4ymAxDavy8n
InChI InChI=1S/C21H30O4/c1-4-5-14-24-20(22)17-11-6-7-12-18(17)21(23)25-19-13-9-8-10-16(19)15(2)3/h8-10,13,15,17-18H,4-7,11-12,14H2,1-3H3
InChIKey LCENJWAQECFSFJ-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 5u0MULYiA1g
Name 1,2-Cyclohexanedicarboxylic acid, butyl 2-isopropylphenyl 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/c1-4-5-14-24-20(22)17-11-6-7-12-18(17)21(23)25-19-13-9-8-10-16(19)15(2)3/h8-10,13,15,17-18H,4-7,11-12,14H2,1-3H3
InChIKey LCENJWAQECFSFJ-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES C1CCCC(C1C(OCCCC)=O)C(=O)OC1=C(C=CC=C1)C(C)C