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

View entire compound with spectra: 1 NMR

Sebacic acid, hexyl 4-(2-phenylpropyl-2)-phenyl ester
SpectraBase Compound ID 1vyISdmyCd5
InChI InChI=1S/C31H44O4/c1-4-5-6-16-25-34-29(32)19-14-9-7-8-10-15-20-30(33)35-28-23-21-27(22-24-28)31(2,3)26-17-12-11-13-18-26/h11-13,17-18,21-24H,4-10,14-16,19-20,25H2,1-3H3
InChIKey ZKXKPULSMJVBPX-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C31H44O4
Exact Mass 480.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GAwVEtzk1sp
Name Sebacic acid, hexyl 4-(2-phenylpropyl-2)-phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.323959893 u
Formula C31H44O4
InChI InChI=1S/C31H44O4/c1-4-5-6-16-25-34-29(32)19-14-9-7-8-10-15-20-30(33)35-28-23-21-27(22-24-28)31(2,3)26-17-12-11-13-18-26/h11-13,17-18,21-24H,4-10,14-16,19-20,25H2,1-3H3
InChIKey ZKXKPULSMJVBPX-UHFFFAOYSA-N
Molecular Weight 480.689 g/mol
SMILES C(CCCCCC(OC1=CC=C(C(C2=CC=CC=C2)(C)C)C=C1)=O)CCC(OCCCCCC)=O