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Sebacic acid, 2-nitrophenyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-nitrophenyl nonyl ester
SpectraBase Compound ID 91XnDaU7ogX
InChI InChI=1S/C25H39NO6/c1-2-3-4-5-8-11-16-21-31-24(27)19-12-9-6-7-10-13-20-25(28)32-23-18-15-14-17-22(23)26(29)30/h14-15,17-18H,2-13,16,19-21H2,1H3
InChIKey MYDOUXFNMPPDKD-UHFFFAOYSA-N
Mol Weight 449.6 g/mol
Molecular Formula C25H39NO6
Exact Mass 449.277738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6wNndbuRy96
Name Sebacic acid, 2-nitrophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 449.277737974 u
Formula C25H39NO6
InChI InChI=1S/C25H39NO6/c1-2-3-4-5-8-11-16-21-31-24(27)19-12-9-6-7-10-13-20-25(28)32-23-18-15-14-17-22(23)26(29)30/h14-15,17-18H,2-13,16,19-21H2,1H3
InChIKey MYDOUXFNMPPDKD-UHFFFAOYSA-N
Molecular Weight 449.588 g/mol
SMILES C(CCCCCCCC(OC1=CC=CC=C1N(=O)=O)=O)C(OCCCCCCCCC)=O