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

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Sebacic acid, nonyl 4-(2-phenylpropyl-2)-phenyl ester
SpectraBase Compound ID KXioCcn5mDW
InChI InChI=1S/C34H50O4/c1-4-5-6-7-10-13-19-28-37-32(35)22-17-11-8-9-12-18-23-33(36)38-31-26-24-30(25-27-31)34(2,3)29-20-15-14-16-21-29/h14-16,20-21,24-27H,4-13,17-19,22-23,28H2,1-3H3
InChIKey WDEHCXQJMDWQSI-UHFFFAOYSA-N
Mol Weight 522.8 g/mol
Molecular Formula C34H50O4
Exact Mass 522.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9p56URs6thw
Name Sebacic acid, nonyl 4-(2-phenylpropyl-2)-phenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.370910086 u
Formula C34H50O4
InChI InChI=1S/C34H50O4/c1-4-5-6-7-10-13-19-28-37-32(35)22-17-11-8-9-12-18-23-33(36)38-31-26-24-30(25-27-31)34(2,3)29-20-15-14-16-21-29/h14-16,20-21,24-27H,4-13,17-19,22-23,28H2,1-3H3
InChIKey WDEHCXQJMDWQSI-UHFFFAOYSA-N
Molecular Weight 522.770 g/mol
SMILES C(CCCCCC(OC1=CC=C(C(C2=CC=CC=C2)(C)C)C=C1)=O)CCC(OCCCCCCCCC)=O