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Sebacic acid, di(cis-11-tetradecenyl) ester
SpectraBase Compound ID Ld2ZluH3VME
InChI InChI=1S/C38H70O4/c1-3-5-7-9-11-13-15-17-19-23-27-31-35-41-37(39)33-29-25-21-22-26-30-34-38(40)42-36-32-28-24-20-18-16-14-12-10-8-6-4-2/h5-8H,3-4,9-36H2,1-2H3/b7-5-,8-6-
InChIKey FHJLOYFQTSDGJK-SFECMWDFSA-N
Mol Weight 591.0 g/mol
Molecular Formula C38H70O4
Exact Mass 590.527411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2GrBRZHMoXH
Name Sebacic acid, di(cis-11-tetradecenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 590.527410730 u
Formula C38H70O4
InChI InChI=1S/C38H70O4/c1-3-5-7-9-11-13-15-17-19-23-27-31-35-41-37(39)33-29-25-21-22-26-30-34-38(40)42-36-32-28-24-20-18-16-14-12-10-8-6-4-2/h5-8H,3-4,9-36H2,1-2H3/b7-5-,8-6-
InChIKey FHJLOYFQTSDGJK-SFECMWDFSA-N
Molecular Weight 590.974 g/mol
SMILES C(CCCCCCCOC(CCCCCCCCC(OCCCCCCCCCC\C=C/CC)=O)=O)CC\C=C/CC