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Sebacic acid, hexadecyl 2-hexyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, hexadecyl 2-hexyl ester
SpectraBase Compound ID GcAmXzFr40s
InChI InChI=1S/C32H62O4/c1-4-6-8-9-10-11-12-13-14-15-16-19-22-25-29-35-31(33)27-23-20-17-18-21-24-28-32(34)36-30(3)26-7-5-2/h30H,4-29H2,1-3H3
InChIKey VHHWPNXRQJLCMA-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 6LGUMGUCbKh
Name Sebacic acid, hexadecyl 2-hexyl 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/c1-4-6-8-9-10-11-12-13-14-15-16-19-22-25-29-35-31(33)27-23-20-17-18-21-24-28-32(34)36-30(3)26-7-5-2/h30H,4-29H2,1-3H3
InChIKey VHHWPNXRQJLCMA-UHFFFAOYSA-N
Molecular Weight 510.844 g/mol
SMILES C(CCCCCCCCC(OCCCCCCCCCCCCCCCC)=O)(OC(CCCC)C)=O