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Sebacic acid, oct-3-yl tetradecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, oct-3-yl tetradecyl ester
SpectraBase Compound ID 2SMbalvRhUK
InChI InChI=1S/C32H62O4/c1-4-7-9-10-11-12-13-14-15-18-21-25-29-35-31(33)27-23-19-16-17-20-24-28-32(34)36-30(6-3)26-22-8-5-2/h30H,4-29H2,1-3H3
InChIKey XYCACFZPCDECEE-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 JsUL1DOSe0Q
Name Sebacic acid, oct-3-yl tetradecyl 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/c1-4-7-9-10-11-12-13-14-15-18-21-25-29-35-31(33)27-23-19-16-17-20-24-28-32(34)36-30(6-3)26-22-8-5-2/h30H,4-29H2,1-3H3
InChIKey XYCACFZPCDECEE-UHFFFAOYSA-N
Molecular Weight 510.844 g/mol
SMILES C(CCCCCCCC(OC(CCCCC)CC)=O)C(OCCCCCCCCCCCCCC)=O