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Succinic acid, di(tridec-2-ynyl) ester
SpectraBase Compound ID JD3Na3Iynvc
InChI InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-33-29(31)25-26-30(32)34-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-20,25-28H2,1-2H3
InChIKey KYVUEPBFJZMKQZ-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfKmSt9HjhK
Name Succinic acid, di(tridec-2-ynyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-33-29(31)25-26-30(32)34-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-20,25-28H2,1-2H3
InChIKey KYVUEPBFJZMKQZ-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES CCCCCCCCCCC#CCOC(CCC(OCC#CCCCCCCCCCC)=O)=O