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Succinic acid, tridec-2-yn-1-yl cis-pent-2-en-1-yl ester

View entire compound with spectra: 1 NMR

Succinic acid, tridec-2-yn-1-yl cis-pent-2-en-1-yl ester
SpectraBase Compound ID CGCkIUF4e4V
InChI InChI=1S/C22H36O4/c1-3-5-7-8-9-10-11-12-13-14-16-20-26-22(24)18-17-21(23)25-19-15-6-4-2/h6,15H,3-5,7-13,17-20H2,1-2H3/b15-6-
InChIKey CRPRDQVMZUPBGV-UUASQNMZSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BPQxVTaZ3Nl
Name Succinic acid, tridec-2-yn-1-yl cis-pent-2-en-1-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.261359635 u
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-3-5-7-8-9-10-11-12-13-14-16-20-26-22(24)18-17-21(23)25-19-15-6-4-2/h6,15H,3-5,7-13,17-20H2,1-2H3/b15-6-
InChIKey CRPRDQVMZUPBGV-UUASQNMZSA-N
Molecular Weight 364.526 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OC\C=C/CC)=O