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Sebacic acid, heptadecyl neopentyl ester

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Sebacic acid, heptadecyl neopentyl ester
SpectraBase Compound ID 4gcSJDYrqdy
InChI InChI=1S/C32H62O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-35-30(33)26-23-20-17-18-21-24-27-31(34)36-29-32(2,3)4/h5-29H2,1-4H3
InChIKey VSXMPUGACCODFW-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 FavEmShSjUW
Name Sebacic acid, heptadecyl neopentyl 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/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-35-30(33)26-23-20-17-18-21-24-27-31(34)36-29-32(2,3)4/h5-29H2,1-4H3
InChIKey VSXMPUGACCODFW-UHFFFAOYSA-N
Molecular Weight 510.844 g/mol
SMILES C(CCCCCCCC(OCC(C)(C)C)=O)C(OCCCCCCCCCCCCCCCCC)=O