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Sebacic acid, 3-methylbutyl pentadecyl ester

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Sebacic acid, 3-methylbutyl pentadecyl ester
SpectraBase Compound ID 4jaE8KbQZZ7
InChI InChI=1S/C30H58O4/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-26-33-29(31)23-20-17-14-15-18-21-24-30(32)34-27-25-28(2)3/h28H,4-27H2,1-3H3
InChIKey UPGQPDFOPPRTOU-UHFFFAOYSA-N
Mol Weight 482.8 g/mol
Molecular Formula C30H58O4
Exact Mass 482.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78AyRuF4627
Name Sebacic acid, 3-methylbutyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.433510344 u
Formula C30H58O4
InChI InChI=1S/C30H58O4/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-26-33-29(31)23-20-17-14-15-18-21-24-30(32)34-27-25-28(2)3/h28H,4-27H2,1-3H3
InChIKey UPGQPDFOPPRTOU-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES C(CCCCCC(OCCC(C)C)=O)CCC(OCCCCCCCCCCCCCCC)=O