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Poly(1,5-pentanediol adipate-co-isophthalate)
SpectraBase Compound ID BFWSxtBxsC0
InChI InChI=1S/C10H10O2.C8H14O2.C7H16O2/c1-7(11)9-4-3-5-10(6-9)8(2)12;1-7(9)5-3-4-6-8(2)10;1-8-6-4-3-5-7-9-2/h3-6H,1-2H3;3-6H2,1-2H3;3-7H2,1-2H3
InChIKey FCJUKCJJWMCQQR-UHFFFAOYSA-N
Mol Weight 436.59 g/mol
Molecular Formula C25H40O6
Exact Mass 436.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 465xb5aYQyn
Name Poly(1,5-pentanediol adipate-co-isophthalate)
Comments Computed using HOSE algorithm
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Exact Mass 436.282489002 u
Formula C25H40O6
InChI InChI=1S/C10H10O2.C8H14O2.C7H16O2/c1-7(11)9-4-3-5-10(6-9)8(2)12;1-7(9)5-3-4-6-8(2)10;1-8-6-4-3-5-7-9-2/h3-6H,1-2H3;3-6H2,1-2H3;3-7H2,1-2H3
InChIKey FCJUKCJJWMCQQR-UHFFFAOYSA-N
Molecular Weight 436.589 g/mol
Nominal Mass 436 u
SMILES C(C(=O)C)CCCC(=O)C.CC(=O)C1=CC=CC(=C1)C(=O)C.C(OC)CCCCOC