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Sebacic acid, 2-propylpentyl undecyl ester
SpectraBase Compound ID Lt2A4NhWnhR
InChI InChI=1S/C29H56O4/c1-4-7-8-9-10-11-14-17-20-25-32-28(30)23-18-15-12-13-16-19-24-29(31)33-26-27(21-5-2)22-6-3/h27H,4-26H2,1-3H3
InChIKey YUZZYKCCHXFSOZ-UHFFFAOYSA-N
Mol Weight 468.8 g/mol
Molecular Formula C29H56O4
Exact Mass 468.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Be0D7aIUTxU
Name Sebacic acid, 2-propylpentyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.417860279 u
Formula C29H56O4
InChI InChI=1S/C29H56O4/c1-4-7-8-9-10-11-14-17-20-25-32-28(30)23-18-15-12-13-16-19-24-29(31)33-26-27(21-5-2)22-6-3/h27H,4-26H2,1-3H3
InChIKey YUZZYKCCHXFSOZ-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES C(CCCCCCCC(OCC(CCC)CCC)=O)C(OCCCCCCCCCCC)=O