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Dibutyl 1,1'-((5,7,9,11-hexadecatetraynylene)bis(oxycarbonylimino))diacetate

View entire compound with spectra: 1 NMR

Dibutyl 1,1'-((5,7,9,11-hexadecatetraynylene)bis(oxycarbonylimino))diacetate
SpectraBase Compound ID BJQrig3oGxp
InChI InChI=1S/2C16H23NO4/c2*1-3-5-7-8-9-10-11-13-21-16(19)17-14-15(18)20-12-6-4-2/h2*4,6,9-14H2,1-2H3,(H,17,19)
InChIKey JRBDNOLUEOQQLV-UHFFFAOYSA-N
Mol Weight 586.73 g/mol
Molecular Formula C32H46N2O8
Exact Mass 586.325416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5xMLI89zzP
Name Dibutyl 1,1'-((5,7,9,11-hexadecatetraynylene)bis(oxycarbonylimino))diacetate
Comments Computed using HOSE algorithm
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Exact Mass 586.325416441 u
Formula C32H46N2O8
InChI InChI=1S/2C16H23NO4/c2*1-3-5-7-8-9-10-11-13-21-16(19)17-14-15(18)20-12-6-4-2/h2*4,6,9-14H2,1-2H3,(H,17,19)
InChIKey JRBDNOLUEOQQLV-UHFFFAOYSA-N
Molecular Weight 586.726 g/mol
Nominal Mass 586 u
SMILES C(OCCCC)(=O)CNC(OCCCCC#CC#CC)=O.C(OCCCC)(=O)CNC(OCCCCC#CC#CC)=O