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Sebacic acid, 4-isopropoxyphenyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-isopropoxyphenyl nonyl ester
SpectraBase Compound ID 9fAOYdr6c1E
InChI InChI=1S/C28H46O5/c1-4-5-6-7-10-13-16-23-31-27(29)17-14-11-8-9-12-15-18-28(30)33-26-21-19-25(20-22-26)32-24(2)3/h19-22,24H,4-18,23H2,1-3H3
InChIKey YRYPVEJXJZOVSO-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C28H46O5
Exact Mass 462.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BmdGzB8pJO
Name Sebacic acid, 4-isopropoxyphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 462.334524576 u
Formula C28H46O5
InChI InChI=1S/C28H46O5/c1-4-5-6-7-10-13-16-23-31-27(29)17-14-11-8-9-12-15-18-28(30)33-26-21-19-25(20-22-26)32-24(2)3/h19-22,24H,4-18,23H2,1-3H3
InChIKey YRYPVEJXJZOVSO-UHFFFAOYSA-N
Molecular Weight 462.671 g/mol
SMILES C(CCCCCCCC(OC1=CC=C(OC(C)C)C=C1)=O)C(OCCCCCCCCC)=O