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Poly(1,3-propanediol adipate-co-isophthalate)
SpectraBase Compound ID FVCQnNn9iEw
InChI InChI=1S/C10H10O2.C8H14O2.C5H12O2/c1-7(11)9-4-3-5-10(6-9)8(2)12;1-7(9)5-3-4-6-8(2)10;1-6-4-3-5-7-2/h3-6H,1-2H3;3-6H2,1-2H3;3-5H2,1-2H3
InChIKey ZPBNAYITJTWOGR-UHFFFAOYSA-N
Mol Weight 408.53 g/mol
Molecular Formula C23H36O6
Exact Mass 408.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K07Qeh8Urb4
Name Poly(1,3-propanediol adipate-co-isophthalate)
Comments Computed using HOSE algorithm
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Exact Mass 408.251188873 u
Formula C23H36O6
InChI InChI=1S/C10H10O2.C8H14O2.C5H12O2/c1-7(11)9-4-3-5-10(6-9)8(2)12;1-7(9)5-3-4-6-8(2)10;1-6-4-3-5-7-2/h3-6H,1-2H3;3-6H2,1-2H3;3-5H2,1-2H3
InChIKey ZPBNAYITJTWOGR-UHFFFAOYSA-N
Molecular Weight 408.535 g/mol
Nominal Mass 408 u
SMILES C(C(=O)C)CCCC(=O)C.C=1C=C(C=C(C1)C(=O)C)C(=O)C.C(OC)CCOC