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Succinic acid, 2-nitrophenethyl nonyl ester

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Succinic acid, 2-nitrophenethyl nonyl ester
SpectraBase Compound ID 7varbXmeMh5
InChI InChI=1S/C21H31NO6/c1-2-3-4-5-6-7-10-16-27-20(23)13-14-21(24)28-17-15-18-11-8-9-12-19(18)22(25)26/h8-9,11-12H,2-7,10,13-17H2,1H3
InChIKey MRBWLEBDPIJATP-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 4BhZpOBCYVl
Name Succinic acid, 2-nitrophenethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 393.215137716 u
Formula C21H31NO6
InChI InChI=1S/C21H31NO6/c1-2-3-4-5-6-7-10-16-27-20(23)13-14-21(24)28-17-15-18-11-8-9-12-19(18)22(25)26/h8-9,11-12H,2-7,10,13-17H2,1H3
InChIKey MRBWLEBDPIJATP-UHFFFAOYSA-N
Molecular Weight 393.480 g/mol
SMILES C(CCC(OCCC1=C(C=CC=C1)N(=O)=O)=O)(OCCCCCCCCC)=O