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Sebacic acid, nonyl 3-propylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, nonyl 3-propylphenyl ester
SpectraBase Compound ID HbnU5pZ8n32
InChI InChI=1S/C28H46O4/c1-3-5-6-7-10-13-18-24-31-27(29)22-14-11-8-9-12-15-23-28(30)32-26-21-17-16-20-25(26)19-4-2/h16-17,20-21H,3-15,18-19,22-24H2,1-2H3
InChIKey VXFCEKZIAYMWTL-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 9uF1sx1goQQ
Name Sebacic acid, nonyl 3-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-5-6-7-10-13-18-24-31-27(29)22-14-11-8-9-12-15-23-28(30)32-26-21-17-16-20-25(26)19-4-2/h16-17,20-21H,3-15,18-19,22-24H2,1-2H3
InChIKey VXFCEKZIAYMWTL-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CCCCCCCCC(OCCCCCCCCC)=O)(OC=1C(CCC)=CC=CC1)=O