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Glutaric acid, heptadecyl 4-methylpent-2-yl ester

View entire compound with spectra: 1 NMR

Glutaric acid, heptadecyl 4-methylpent-2-yl ester
SpectraBase Compound ID 4ElbQPMTK79
InChI InChI=1S/C28H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-27(29)21-20-22-28(30)32-26(4)24-25(2)3/h25-26H,5-24H2,1-4H3
InChIKey XVYQPDNHOMMQIZ-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C28H54O4
Exact Mass 454.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FR4bDhrERtL
Name Glutaric acid, heptadecyl 4-methylpent-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.402210215 u
Formula C28H54O4
InChI InChI=1S/C28H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-27(29)21-20-22-28(30)32-26(4)24-25(2)3/h25-26H,5-24H2,1-4H3
InChIKey XVYQPDNHOMMQIZ-UHFFFAOYSA-N
Molecular Weight 454.736 g/mol
SMILES CC(CC(OC(CCCC(OCCCCCCCCCCCCCCCCC)=O)=O)C)C