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Succinic acid, 2-(3-nitrophenyl)ethyl nonyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-(3-nitrophenyl)ethyl nonyl ester
SpectraBase Compound ID JAYVOauL4Fb
InChI InChI=1S/C21H31NO6/c1-2-3-4-5-6-7-8-15-27-20(23)12-13-21(24)28-16-14-18-10-9-11-19(17-18)22(25)26/h9-11,17H,2-8,12-16H2,1H3
InChIKey KLVLJBONZKUUCG-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 LNzuA0uqvHN
Name Succinic acid, 2-(3-nitrophenyl)ethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 393.215137716 u
Formula C21H31NO6
InChI InChI=1S/C21H31NO6/c1-2-3-4-5-6-7-8-15-27-20(23)12-13-21(24)28-16-14-18-10-9-11-19(17-18)22(25)26/h9-11,17H,2-8,12-16H2,1H3
InChIKey KLVLJBONZKUUCG-UHFFFAOYSA-N
Molecular Weight 393.480 g/mol
SMILES C(CCC(OCCC1=CC=CC(=C1)N(=O)=O)=O)(OCCCCCCCCC)=O