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Sebacic acid, 4-(2-phenylpropyl-2)-phenyl propyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-(2-phenylpropyl-2)-phenyl propyl ester
SpectraBase Compound ID JKIZLYmnVmk
InChI InChI=1S/C28H38O4/c1-4-22-31-26(29)16-12-7-5-6-8-13-17-27(30)32-25-20-18-24(19-21-25)28(2,3)23-14-10-9-11-15-23/h9-11,14-15,18-21H,4-8,12-13,16-17,22H2,1-3H3
InChIKey QQWRGALUEPQBCN-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AS8XmbvRXEC
Name Sebacic acid, 4-(2-phenylpropyl-2)-phenyl propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.277009700 u
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-4-22-31-26(29)16-12-7-5-6-8-13-17-27(30)32-25-20-18-24(19-21-25)28(2,3)23-14-10-9-11-15-23/h9-11,14-15,18-21H,4-8,12-13,16-17,22H2,1-3H3
InChIKey QQWRGALUEPQBCN-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES C(CCCCCC(OC1=CC=C(C(C2=CC=CC=C2)(C)C)C=C1)=O)CCC(OCCC)=O