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Poly[2,2-dimethylpropanetetrayl tetrakis(2-allyl-1,3-dioxo-1,3-dihydroisoindol-5-carboxylate)]
SpectraBase Compound ID 3fQ2SCWVVAe
InChI InChI=1S/C61H64N4O16/c1-9-33(5)25-62-49(66)41-17-13-37(21-45(41)53(62)70)57(74)78-29-61(30-79-58(75)38-14-18-42-46(22-38)54(71)63(50(42)67)26-34(6)10-2,31-80-59(76)39-15-19-43-47(23-39)55(72)64(51(43)68)27-35(7)11-3)32-81-60(77)40-16-20-44-48(24-40)56(73)65(52(44)69)28-36(8)12-4/h13-24,33-36H,9-12,25-32H2,1-8H3
InChIKey YNBZGWLQIJBFPM-UHFFFAOYSA-N
Mol Weight 1109.2 g/mol
Molecular Formula C61H64N4O16
Exact Mass 1108.431732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fvMbi6kw3H
Name Poly[2,2-dimethylpropanetetrayl tetrakis(2-allyl-1,3-dioxo-1,3-dihydroisoindol-5-carboxylate)]
Comments Computed using HOSE algorithm
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Exact Mass 1108.431731981 u
Formula C61H64N4O16
InChI InChI=1S/C61H64N4O16/c1-9-33(5)25-62-49(66)41-17-13-37(21-45(41)53(62)70)57(74)78-29-61(30-79-58(75)38-14-18-42-46(22-38)54(71)63(50(42)67)26-34(6)10-2,31-80-59(76)39-15-19-43-47(23-39)55(72)64(51(43)68)27-35(7)11-3)32-81-60(77)40-16-20-44-48(24-40)56(73)65(52(44)69)28-36(8)12-4/h13-24,33-36H,9-12,25-32H2,1-8H3
InChIKey YNBZGWLQIJBFPM-UHFFFAOYSA-N
Molecular Weight 1109.195 g/mol
Nominal Mass 1108 u
SMILES C(C(CC)C)N1C(C=2C=C(C(OCC(COC(C3=CC4=C(C(N(C4=O)CC(CC)C)=O)C=C3)=O)(COC(C3=CC4=C(C(N(C4=O)CC(CC)C)=O)C=C3)=O)COC(C3=CC=4C(N(CC(CC)C)C(C4C=C3)=O)=O)=O)=O)C=CC2C1=O)=O