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Sebacic acid, hexadecyl 4-methoxy-2-methylbutyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, hexadecyl 4-methoxy-2-methylbutyl ester
SpectraBase Compound ID 6zTvW3nHWfp
InChI InChI=1S/C32H62O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-23-27-36-31(33)24-21-18-15-16-19-22-25-32(34)37-29-30(2)26-28-35-3/h30H,4-29H2,1-3H3
InChIKey DRKGEFKORVASME-UHFFFAOYSA-N
Mol Weight 526.8 g/mol
Molecular Formula C32H62O5
Exact Mass 526.459725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GZP886E3cka
Name Sebacic acid, hexadecyl 4-methoxy-2-methylbutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 526.459725091 u
Formula C32H62O5
InChI InChI=1S/C32H62O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-23-27-36-31(33)24-21-18-15-16-19-22-25-32(34)37-29-30(2)26-28-35-3/h30H,4-29H2,1-3H3
InChIKey DRKGEFKORVASME-UHFFFAOYSA-N
Molecular Weight 526.843 g/mol
SMILES C(CCCCC(OCC(C)CCOC)=O)CCCC(OCCCCCCCCCCCCCCCC)=O