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Sebacic acid, hexyl 5-methoxy-3-phenylpentyl ester

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Sebacic acid, hexyl 5-methoxy-3-phenylpentyl ester
SpectraBase Compound ID 6Gj6MmsOxi
InChI InChI=1S/C28H46O5/c1-3-4-5-15-22-32-27(29)18-13-8-6-7-9-14-19-28(30)33-24-21-26(20-23-31-2)25-16-11-10-12-17-25/h10-12,16-17,26H,3-9,13-15,18-24H2,1-2H3
InChIKey UQNHIVGCXMOOIK-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C28H46O5
Exact Mass 462.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHlyGNxhDra
Name Sebacic acid, hexyl 5-methoxy-3-phenylpentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.334524576 u
Formula C28H46O5
InChI InChI=1S/C28H46O5/c1-3-4-5-15-22-32-27(29)18-13-8-6-7-9-14-19-28(30)33-24-21-26(20-23-31-2)25-16-11-10-12-17-25/h10-12,16-17,26H,3-9,13-15,18-24H2,1-2H3
InChIKey UQNHIVGCXMOOIK-UHFFFAOYSA-N
Molecular Weight 462.671 g/mol
SMILES C(CCCCCCCCC(OCCCCCC)=O)(OCCC(C1=CC=CC=C1)CCOC)=O