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Glutaric acid, dec-2-yl 3-nitrophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, dec-2-yl 3-nitrophenyl ester
SpectraBase Compound ID JiHrR2ntrfb
InChI InChI=1S/C21H31NO6/c1-3-4-5-6-7-8-11-17(2)27-20(23)14-10-15-21(24)28-19-13-9-12-18(16-19)22(25)26/h9,12-13,16-17H,3-8,10-11,14-15H2,1-2H3
InChIKey PMCWCXFEUGVMTN-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 5VSR92SRUSe
Name Glutaric acid, dec-2-yl 3-nitrophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 393.215137716 u
Formula C21H31NO6
InChI InChI=1S/C21H31NO6/c1-3-4-5-6-7-8-11-17(2)27-20(23)14-10-15-21(24)28-19-13-9-12-18(16-19)22(25)26/h9,12-13,16-17H,3-8,10-11,14-15H2,1-2H3
InChIKey PMCWCXFEUGVMTN-UHFFFAOYSA-N
Molecular Weight 393.480 g/mol
SMILES C(CCC(OC(C)CCCCCCCC)=O)C(OC1=CC=CC(=C1)N(=O)=O)=O