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Glutaric acid, 2-nitrobenzyl nonyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-nitrobenzyl nonyl ester
SpectraBase Compound ID 1W4Tp98n8Nt
InChI InChI=1S/C21H31NO6/c1-2-3-4-5-6-7-10-16-27-20(23)14-11-15-21(24)28-17-18-12-8-9-13-19(18)22(25)26/h8-9,12-13H,2-7,10-11,14-17H2,1H3
InChIKey MBTNNHULKQJOGN-UHFFFAOYSA-N
Mol Weight 393.48 g/mol
Molecular Formula C21H31NO6
Exact Mass 393.215138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JxXTXjWyRgd
Name Glutaric acid, 2-nitrobenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 393.215137716 u
Formula C21H31NO6
InChI InChI=1S/C21H31NO6/c1-2-3-4-5-6-7-10-16-27-20(23)14-11-15-21(24)28-17-18-12-8-9-13-19(18)22(25)26/h8-9,12-13H,2-7,10-11,14-17H2,1H3
InChIKey MBTNNHULKQJOGN-UHFFFAOYSA-N
Molecular Weight 393.480 g/mol
SMILES C(OCC=1C=CC=CC1N(=O)=O)(=O)CCCC(OCCCCCCCCC)=O