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Succinic acid, 3-methyl-2-nitrobenzyl nonyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 3-methyl-2-nitrobenzyl nonyl ester
SpectraBase Compound ID 2Q7Uxrl5Giq
InChI InChI=1S/C21H31NO6/c1-3-4-5-6-7-8-9-15-27-19(23)13-14-20(24)28-16-18-12-10-11-17(2)21(18)22(25)26/h10-12H,3-9,13-16H2,1-2H3
InChIKey MYTCSFVIJSUTGG-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 GsadSzFhDwK
Name Succinic acid, 3-methyl-2-nitrobenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 393.215137716 u
Formula C21H31NO6
InChI InChI=1S/C21H31NO6/c1-3-4-5-6-7-8-9-15-27-19(23)13-14-20(24)28-16-18-12-10-11-17(2)21(18)22(25)26/h10-12H,3-9,13-16H2,1-2H3
InChIKey MYTCSFVIJSUTGG-UHFFFAOYSA-N
Molecular Weight 393.480 g/mol
SMILES C(CCC(OCC1=CC=CC(=C1N(=O)=O)C)=O)(OCCCCCCCCC)=O