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Sebacic acid, decyl 4-methoxyphenyl ester

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Sebacic acid, decyl 4-methoxyphenyl ester
SpectraBase Compound ID IJK93PER99R
InChI InChI=1S/C27H44O5/c1-3-4-5-6-7-10-13-16-23-31-26(28)17-14-11-8-9-12-15-18-27(29)32-25-21-19-24(30-2)20-22-25/h19-22H,3-18,23H2,1-2H3
InChIKey VXCWNMGXRHPISL-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H44O5
Exact Mass 448.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2phOrrym1Xz
Name Sebacic acid, decyl 4-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 448.318874512 u
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-3-4-5-6-7-10-13-16-23-31-26(28)17-14-11-8-9-12-15-18-27(29)32-25-21-19-24(30-2)20-22-25/h19-22H,3-18,23H2,1-2H3
InChIKey VXCWNMGXRHPISL-UHFFFAOYSA-N
Molecular Weight 448.644 g/mol
SMILES C(CCCCCCCC(OC1=CC=C(OC)C=C1)=O)C(OCCCCCCCCCC)=O