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Glutaric acid, dodecyl 3-nitrophenethyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, dodecyl 3-nitrophenethyl ester
SpectraBase Compound ID 6UMoATTJxMD
InChI InChI=1S/C25H39NO6/c1-2-3-4-5-6-7-8-9-10-11-19-31-24(27)16-13-17-25(28)32-20-18-22-14-12-15-23(21-22)26(29)30/h12,14-15,21H,2-11,13,16-20H2,1H3
InChIKey NSIZCEVJYQOZPJ-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 Kfg64Gst3Uz
Name Glutaric acid, dodecyl 3-nitrophenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 449.277737974 u
Formula C25H39NO6
InChI InChI=1S/C25H39NO6/c1-2-3-4-5-6-7-8-9-10-11-19-31-24(27)16-13-17-25(28)32-20-18-22-14-12-15-23(21-22)26(29)30/h12,14-15,21H,2-11,13,16-20H2,1H3
InChIKey NSIZCEVJYQOZPJ-UHFFFAOYSA-N
Molecular Weight 449.588 g/mol
SMILES C(OCCC1=CC=CC(=C1)N(=O)=O)(=O)CCCC(OCCCCCCCCCCCC)=O