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Glutaric acid, heptyl 2-methyl-3-nitrobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, heptyl 2-methyl-3-nitrobenzyl ester
SpectraBase Compound ID KKIbltvJSQG
InChI InChI=1S/C20H29NO6/c1-3-4-5-6-7-14-26-19(22)12-9-13-20(23)27-15-17-10-8-11-18(16(17)2)21(24)25/h8,10-11H,3-7,9,12-15H2,1-2H3
InChIKey VZAWZEUESLOIJK-UHFFFAOYSA-N
Mol Weight 379.45 g/mol
Molecular Formula C20H29NO6
Exact Mass 379.199488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HaOD3CjRcOt
Name Glutaric acid, heptyl 2-methyl-3-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.199487652 u
Formula C20H29NO6
InChI InChI=1S/C20H29NO6/c1-3-4-5-6-7-14-26-19(22)12-9-13-20(23)27-15-17-10-8-11-18(16(17)2)21(24)25/h8,10-11H,3-7,9,12-15H2,1-2H3
InChIKey VZAWZEUESLOIJK-UHFFFAOYSA-N
Molecular Weight 379.453 g/mol
SMILES C(COC(=O)CCCC(OCC1=CC=CC(=C1C)N(=O)=O)=O)CCCCC