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Pimelic acid, 2-isopropylphenyl 4-methylpent-2-yl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 2-isopropylphenyl 4-methylpent-2-yl ester
SpectraBase Compound ID EacxgdjgHdF
InChI InChI=1S/C22H34O4/c1-16(2)15-18(5)25-21(23)13-7-6-8-14-22(24)26-20-12-10-9-11-19(20)17(3)4/h9-12,16-18H,6-8,13-15H2,1-5H3
InChIKey XONUPSBZYQWNAI-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KhSKL4XpOng
Name Pimelic acid, 2-isopropylphenyl 4-methylpent-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.245709571 u
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-16(2)15-18(5)25-21(23)13-7-6-8-14-22(24)26-20-12-10-9-11-19(20)17(3)4/h9-12,16-18H,6-8,13-15H2,1-5H3
InChIKey XONUPSBZYQWNAI-UHFFFAOYSA-N
Molecular Weight 362.510 g/mol
SMILES C(CCCC(OC(CC(C)C)C)=O)CC(OC1=CC=CC=C1C(C)C)=O