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Sebacic acid, nonyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, nonyl 3-phenylpropyl ester
SpectraBase Compound ID HlXKXqVGQbF
InChI InChI=1S/C28H46O4/c1-2-3-4-5-8-11-17-24-31-27(29)22-15-9-6-7-10-16-23-28(30)32-25-18-21-26-19-13-12-14-20-26/h12-14,19-20H,2-11,15-18,21-25H2,1H3
InChIKey SDAZUIJBDODFHM-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFcUbcN31UC
Name Sebacic acid, nonyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-2-3-4-5-8-11-17-24-31-27(29)22-15-9-6-7-10-16-23-28(30)32-25-18-21-26-19-13-12-14-20-26/h12-14,19-20H,2-11,15-18,21-25H2,1H3
InChIKey SDAZUIJBDODFHM-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CCCCCCC(OCCCC1=CC=CC=C1)=O)CC(OCCCCCCCCC)=O