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Pimelic acid, 4-methylpent-2-yl 1-phenylpropyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 4-methylpent-2-yl 1-phenylpropyl ester
SpectraBase Compound ID I0T25tehcSS
InChI InChI=1S/C22H34O4/c1-5-20(19-12-8-6-9-13-19)26-22(24)15-11-7-10-14-21(23)25-18(4)16-17(2)3/h6,8-9,12-13,17-18,20H,5,7,10-11,14-16H2,1-4H3
InChIKey VCGRIKPBZAEEFJ-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 GWb5FWLMRRH
Name Pimelic acid, 4-methylpent-2-yl 1-phenylpropyl 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/c1-5-20(19-12-8-6-9-13-19)26-22(24)15-11-7-10-14-21(23)25-18(4)16-17(2)3/h6,8-9,12-13,17-18,20H,5,7,10-11,14-16H2,1-4H3
InChIKey VCGRIKPBZAEEFJ-UHFFFAOYSA-N
Molecular Weight 362.510 g/mol
SMILES C(CCCC(OC(CC(C)C)C)=O)CC(OC(CC)C1=CC=CC=C1)=O