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Poly(10,12-docosadiyne isobutyrate)
SpectraBase Compound ID ByTTcoNkZZU
InChI InChI=1S/C32H54O4/c1-27(2)31(33)35-25-19-15-11-7-9-13-17-21-29(5)23-24-30(6)22-18-14-10-8-12-16-20-26-36-32(34)28(3)4/h27-28H,5-22,25-26H2,1-4H3
InChIKey GHHDAHLAWBAIBZ-UHFFFAOYSA-N
Mol Weight 502.8 g/mol
Molecular Formula C32H54O4
Exact Mass 502.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hy2tMYGsoMl
Name Poly(10,12-docosadiyne isobutyrate)
Comments Computed using HOSE algorithm
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Exact Mass 502.402210215 u
Formula C32H54O4
InChI InChI=1S/C32H54O4/c1-27(2)31(33)35-25-19-15-11-7-9-13-17-21-29(5)23-24-30(6)22-18-14-10-8-12-16-20-26-36-32(34)28(3)4/h27-28H,5-22,25-26H2,1-4H3
InChIKey GHHDAHLAWBAIBZ-UHFFFAOYSA-N
Molecular Weight 502.780 g/mol
Nominal Mass 502 u
SMILES C(C(C#CC(=C)CCCCCCCCCOC(=O)C(C)C)=C)CCCCCCCCOC(=O)C(C)C