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Succinic acid, 3-methoxybenzyl pentadecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 3-methoxybenzyl pentadecyl ester
SpectraBase Compound ID CeaNR3IqT1A
InChI InChI=1S/C27H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-31-26(28)19-20-27(29)32-23-24-17-16-18-25(22-24)30-2/h16-18,22H,3-15,19-21,23H2,1-2H3
InChIKey RQSRGUMJAYBEOR-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 DhhtMayR2JV
Name Succinic acid, 3-methoxybenzyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 448.318874512 u
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-31-26(28)19-20-27(29)32-23-24-17-16-18-25(22-24)30-2/h16-18,22H,3-15,19-21,23H2,1-2H3
InChIKey RQSRGUMJAYBEOR-UHFFFAOYSA-N
Molecular Weight 448.644 g/mol
SMILES C(CCC(OCC=1C=C(C=CC1)OC)=O)(OCCCCCCCCCCCCCCC)=O