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Glutaric acid, 3-methyl-4-nitrobenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-methyl-4-nitrobenzyl tridecyl ester
SpectraBase Compound ID EKZ2UmhknR3
InChI InChI=1S/C26H41NO6/c1-3-4-5-6-7-8-9-10-11-12-13-19-32-25(28)15-14-16-26(29)33-21-23-17-18-24(27(30)31)22(2)20-23/h17-18,20H,3-16,19,21H2,1-2H3
InChIKey XQYWLVVJUCBWKM-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C26H41NO6
Exact Mass 463.293388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85Dx5wMLPih
Name Glutaric acid, 3-methyl-4-nitrobenzyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 463.293388038 u
Formula C26H41NO6
InChI InChI=1S/C26H41NO6/c1-3-4-5-6-7-8-9-10-11-12-13-19-32-25(28)15-14-16-26(29)33-21-23-17-18-24(27(30)31)22(2)20-23/h17-18,20H,3-16,19,21H2,1-2H3
InChIKey XQYWLVVJUCBWKM-UHFFFAOYSA-N
Molecular Weight 463.615 g/mol
SMILES C(OCC1=CC=C(C(=C1)C)N(=O)=O)(=O)CCCC(OCCCCCCCCCCCCC)=O