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Sebacic acid, di(tridec-2-ynyl) ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Sebacic acid, di(tridec-2-ynyl) ester
SpectraBase Compound ID Ga2RPPh0jrD
InChI InChI=1S/C36H62O4/c1-3-5-7-9-11-13-15-17-21-25-29-33-39-35(37)31-27-23-19-20-24-28-32-36(38)40-34-30-26-22-18-16-14-12-10-8-6-4-2/h3-24,27-28,31-34H2,1-2H3
InChIKey OZVKTPRITJTOSC-UHFFFAOYSA-N
Mol Weight 558.9 g/mol
Molecular Formula C36H62O4
Exact Mass 558.46481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7g3LcZsKIH
Name Sebacic acid, di(tridec-2-ynyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 558.464810472 u
Formula C36H62O4
InChI InChI=1S/C36H62O4/c1-3-5-7-9-11-13-15-17-21-25-29-33-39-35(37)31-27-23-19-20-24-28-32-36(38)40-34-30-26-22-18-16-14-12-10-8-6-4-2/h3-24,27-28,31-34H2,1-2H3
InChIKey OZVKTPRITJTOSC-UHFFFAOYSA-N
Molecular Weight 558.888 g/mol
SMILES C(CCC#CCOC(CCCCCCCCC(OCC#CCCCCCCCCCC)=O)=O)CCCCCCC