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

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Sebacic acid, heptyl 4-(2-phenylpropyl-2)-phenyl ester
SpectraBase Compound ID 63djSyXo7Ql
InChI InChI=1S/C32H46O4/c1-4-5-6-11-17-26-35-30(33)20-15-9-7-8-10-16-21-31(34)36-29-24-22-28(23-25-29)32(2,3)27-18-13-12-14-19-27/h12-14,18-19,22-25H,4-11,15-17,20-21,26H2,1-3H3
InChIKey KBEQVCZJBDYLBQ-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C32H46O4
Exact Mass 494.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GWjnO2LjULp
Name Sebacic acid, heptyl 4-(2-phenylpropyl-2)-phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.339609957 u
Formula C32H46O4
InChI InChI=1S/C32H46O4/c1-4-5-6-11-17-26-35-30(33)20-15-9-7-8-10-16-21-31(34)36-29-24-22-28(23-25-29)32(2,3)27-18-13-12-14-19-27/h12-14,18-19,22-25H,4-11,15-17,20-21,26H2,1-3H3
InChIKey KBEQVCZJBDYLBQ-UHFFFAOYSA-N
Molecular Weight 494.716 g/mol
SMILES C(CCCCCC(OC1=CC=C(C(C2=CC=CC=C2)(C)C)C=C1)=O)CCC(OCCCCCCC)=O