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

View entire compound with spectra: 1 NMR

Glutaric acid, dodecyl 3-methyl-4-nitrobenzyl ester
SpectraBase Compound ID 9ADH4ZiPECJ
InChI InChI=1S/C25H39NO6/c1-3-4-5-6-7-8-9-10-11-12-18-31-24(27)14-13-15-25(28)32-20-22-16-17-23(26(29)30)21(2)19-22/h16-17,19H,3-15,18,20H2,1-2H3
InChIKey HPGXGEPRSLVSCM-UHFFFAOYSA-N
Mol Weight 449.6 g/mol
Molecular Formula C25H39NO6
Exact Mass 449.277738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ewyv7PcK5hH
Name Glutaric acid, dodecyl 3-methyl-4-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 449.277737974 u
Formula C25H39NO6
InChI InChI=1S/C25H39NO6/c1-3-4-5-6-7-8-9-10-11-12-18-31-24(27)14-13-15-25(28)32-20-22-16-17-23(26(29)30)21(2)19-22/h16-17,19H,3-15,18,20H2,1-2H3
InChIKey HPGXGEPRSLVSCM-UHFFFAOYSA-N
Molecular Weight 449.588 g/mol
SMILES C(OCC1=CC=C(C(=C1)C)N(=O)=O)(=O)CCCC(OCCCCCCCCCCCC)=O