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

View entire compound with spectra: 1 NMR

Glutaric acid, heptyl 4-methyl-3-nitrobenzyl ester
SpectraBase Compound ID EOCAFyCGLIe
InChI InChI=1S/C20H29NO6/c1-3-4-5-6-7-13-26-19(22)9-8-10-20(23)27-15-17-12-11-16(2)18(14-17)21(24)25/h11-12,14H,3-10,13,15H2,1-2H3
InChIKey JNUIERHVUILOKI-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 8DM77FTcqVr
Name Glutaric acid, heptyl 4-methyl-3-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.199487652 u
Formula C20H29NO6
InChI InChI=1S/C20H29NO6/c1-3-4-5-6-7-13-26-19(22)9-8-10-20(23)27-15-17-12-11-16(2)18(14-17)21(24)25/h11-12,14H,3-10,13,15H2,1-2H3
InChIKey JNUIERHVUILOKI-UHFFFAOYSA-N
Molecular Weight 379.453 g/mol
SMILES C(OCC1=CC(=C(C=C1)C)N(=O)=O)(=O)CCCC(OCCCCCCC)=O