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Adipic acid, 2-ethylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 2-ethylphenyl undecyl ester
SpectraBase Compound ID H8U3RTWS5cR
InChI InChI=1S/C25H40O4/c1-3-5-6-7-8-9-10-11-16-21-28-24(26)19-14-15-20-25(27)29-23-18-13-12-17-22(23)4-2/h12-13,17-18H,3-11,14-16,19-21H2,1-2H3
InChIKey QGUVMXMMBFHOGN-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GiCOAAgjhX8
Name Adipic acid, 2-ethylphenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-3-5-6-7-8-9-10-11-16-21-28-24(26)19-14-15-20-25(27)29-23-18-13-12-17-22(23)4-2/h12-13,17-18H,3-11,14-16,19-21H2,1-2H3
InChIKey QGUVMXMMBFHOGN-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C(CCC(OC=1C(CC)=CC=CC1)=O)CC(OCCCCCCCCCCC)=O