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Hexanedioic acid, 2,3,4,5-tetraoctyl-, dimethyl ester

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Hexanedioic acid, 2,3,4,5-tetraoctyl-, dimethyl ester
SpectraBase Compound ID LuX7xK86Sm7
InChI InChI=1S/C40H78O4/c1-7-11-15-19-23-27-31-35(37(39(41)43-5)33-29-25-21-17-13-9-3)36(32-28-24-20-16-12-8-2)38(40(42)44-6)34-30-26-22-18-14-10-4/h35-38H,7-34H2,1-6H3
InChIKey HHTZNUSZYYZPOD-UHFFFAOYSA-N
Mol Weight 623.1 g/mol
Molecular Formula C40H78O4
Exact Mass 622.590011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID OuVJf1jPGJ
Name Hexanedioic acid, 2,3,4,5-tetraoctyl-, dimethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 622.590010988 u
Formula C40H78O4
InChI InChI=1S/C40H78O4/c1-7-11-15-19-23-27-31-35(37(39(41)43-5)33-29-25-21-17-13-9-3)36(32-28-24-20-16-12-8-2)38(40(42)44-6)34-30-26-22-18-14-10-4/h35-38H,7-34H2,1-6H3
InChIKey HHTZNUSZYYZPOD-UHFFFAOYSA-N
Molecular Weight 623.060 g/mol
SMILES COC(C(CCCCCCCC)C(C(C(C(OC)=O)CCCCCCCC)CCCCCCCC)CCCCCCCC)=O