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Adipic acid, dodecyl 2-phenylphenyl ester

View entire compound with spectra: 1 NMR

Adipic acid, dodecyl 2-phenylphenyl ester
SpectraBase Compound ID 5QWHdohKpTm
InChI InChI=1S/C30H42O4/c1-2-3-4-5-6-7-8-9-10-18-25-33-29(31)23-16-17-24-30(32)34-28-22-15-14-21-27(28)26-19-12-11-13-20-26/h11-15,19-22H,2-10,16-18,23-25H2,1H3
InChIKey MPDWNFGABUFFGM-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C30H42O4
Exact Mass 466.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jcoaGe0VL5
Name Adipic acid, dodecyl 2-phenylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.308309828 u
Formula C30H42O4
InChI InChI=1S/C30H42O4/c1-2-3-4-5-6-7-8-9-10-18-25-33-29(31)23-16-17-24-30(32)34-28-22-15-14-21-27(28)26-19-12-11-13-20-26/h11-15,19-22H,2-10,16-18,23-25H2,1H3
InChIKey MPDWNFGABUFFGM-UHFFFAOYSA-N
Molecular Weight 466.662 g/mol
SMILES C1(=CC=CC=C1)C1=C(C=CC=C1)OC(=O)CCCCC(OCCCCCCCCCCCC)=O