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Sebacic acid, heptadecyl 3-methylbut-2-yl ester

View entire compound with spectra: 1 NMR

Sebacic acid, heptadecyl 3-methylbut-2-yl ester
SpectraBase Compound ID 8i7xgd2RyLa
InChI InChI=1S/C32H62O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-35-31(33)26-23-20-17-18-21-24-27-32(34)36-30(4)29(2)3/h29-30H,5-28H2,1-4H3
InChIKey SYNYRDHLTKINJK-UHFFFAOYSA-N
Mol Weight 510.8 g/mol
Molecular Formula C32H62O4
Exact Mass 510.46481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4qK1oou6Bib
Name Sebacic acid, heptadecyl 3-methylbut-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.464810472 u
Formula C32H62O4
InChI InChI=1S/C32H62O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-35-31(33)26-23-20-17-18-21-24-27-32(34)36-30(4)29(2)3/h29-30H,5-28H2,1-4H3
InChIKey SYNYRDHLTKINJK-UHFFFAOYSA-N
Molecular Weight 510.844 g/mol
SMILES C(C(OC(C(C)C)C)=O)CCCCCCCC(OCCCCCCCCCCCCCCCCC)=O