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Sebacic acid, 2-methylbutyl pentadecyl ester

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Sebacic acid, 2-methylbutyl pentadecyl ester
SpectraBase Compound ID KPkY1KDKmlx
InChI InChI=1S/C30H58O4/c1-4-6-7-8-9-10-11-12-13-14-17-20-23-26-33-29(31)24-21-18-15-16-19-22-25-30(32)34-27-28(3)5-2/h28H,4-27H2,1-3H3
InChIKey SHUOKKMWKGBVII-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 H37XbQ3jUyg
Name Sebacic acid, 2-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/c1-4-6-7-8-9-10-11-12-13-14-17-20-23-26-33-29(31)24-21-18-15-16-19-22-25-30(32)34-27-28(3)5-2/h28H,4-27H2,1-3H3
InChIKey SHUOKKMWKGBVII-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES C(CCCCCC(OCC(C)CC)=O)CCC(OCCCCCCCCCCCCCCC)=O