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Sebacic acid, decyl 6-ethyloct-3-yl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 6-ethyloct-3-yl ester
SpectraBase Compound ID 9ozlpA3zHzz
InChI InChI=1S/C30H58O4/c1-5-9-10-11-12-15-18-21-26-33-29(31)22-19-16-13-14-17-20-23-30(32)34-28(8-4)25-24-27(6-2)7-3/h27-28H,5-26H2,1-4H3
InChIKey QWRVQYZCJZBDMA-UHFFFAOYSA-N
Mol Weight 482.8 g/mol
Molecular Formula C30H58O4
Exact Mass 482.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RPtfoQ1rVS
Name Sebacic acid, decyl 6-ethyloct-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.433510344 u
Formula C30H58O4
InChI InChI=1S/C30H58O4/c1-5-9-10-11-12-15-18-21-26-33-29(31)22-19-16-13-14-17-20-23-30(32)34-28(8-4)25-24-27(6-2)7-3/h27-28H,5-26H2,1-4H3
InChIKey QWRVQYZCJZBDMA-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES C(CCCCCCCC(OC(CCC(CC)CC)CC)=O)C(OCCCCCCCCCC)=O