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Adipic acid, nonyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Adipic acid, nonyl 3-phenoxybenzyl ester
SpectraBase Compound ID 4TvZJ9PsCKy
InChI InChI=1S/C28H38O5/c1-2-3-4-5-6-7-13-21-31-27(29)19-11-12-20-28(30)32-23-24-15-14-18-26(22-24)33-25-16-9-8-10-17-25/h8-10,14-18,22H,2-7,11-13,19-21,23H2,1H3
InChIKey AZYCDCHUNOSEEU-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C28H38O5
Exact Mass 454.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1YZTzP5v79Q
Name Adipic acid, nonyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.271924319 u
Formula C28H38O5
InChI InChI=1S/C28H38O5/c1-2-3-4-5-6-7-13-21-31-27(29)19-11-12-20-28(30)32-23-24-15-14-18-26(22-24)33-25-16-9-8-10-17-25/h8-10,14-18,22H,2-7,11-13,19-21,23H2,1H3
InChIKey AZYCDCHUNOSEEU-UHFFFAOYSA-N
Molecular Weight 454.607 g/mol
SMILES C(CCC(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O)CC(OCCCCCCCCC)=O