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Glutaric acid, 3-nitro-4-methoxybenzyl tridecyl ester
SpectraBase Compound ID DR0ECyJUvh5
InChI InChI=1S/C26H41NO7/c1-3-4-5-6-7-8-9-10-11-12-13-19-33-25(28)15-14-16-26(29)34-21-22-17-18-24(32-2)23(20-22)27(30)31/h17-18,20H,3-16,19,21H2,1-2H3
InChIKey MERKDBBHBTYQTR-UHFFFAOYSA-N
Mol Weight 479.6 g/mol
Molecular Formula C26H41NO7
Exact Mass 479.288303 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJoe1qdGjNc
Name Glutaric acid, 3-nitro-4-methoxybenzyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 479.288302657 u
Formula C26H41NO7
InChI InChI=1S/C26H41NO7/c1-3-4-5-6-7-8-9-10-11-12-13-19-33-25(28)15-14-16-26(29)34-21-22-17-18-24(32-2)23(20-22)27(30)31/h17-18,20H,3-16,19,21H2,1-2H3
InChIKey MERKDBBHBTYQTR-UHFFFAOYSA-N
Molecular Weight 479.614 g/mol
SMILES C(OCC1=CC=C(C(=C1)N(=O)=O)OC)(=O)CCCC(OCCCCCCCCCCCCC)=O