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Glutaric acid, 3-methylbut-2-yl octadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-methylbut-2-yl octadecyl ester
SpectraBase Compound ID BIadBlI6v5E
InChI InChI=1S/C28H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-27(29)22-21-23-28(30)32-26(4)25(2)3/h25-26H,5-24H2,1-4H3
InChIKey NJJWHECAILKJFR-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 HCl0GnKB6kX
Name Glutaric acid, 3-methylbut-2-yl octadecyl 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/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-27(29)22-21-23-28(30)32-26(4)25(2)3/h25-26H,5-24H2,1-4H3
InChIKey NJJWHECAILKJFR-UHFFFAOYSA-N
Molecular Weight 454.736 g/mol
SMILES C(CCC(OC(C(C)C)C)=O)C(OCCCCCCCCCCCCCCCCCC)=O