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Succinic acid, 2-ethylhexyl 3-nitrobenzyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, 2-ethylhexyl 3-nitrobenzyl ester
SpectraBase Compound ID D2LisQOt7Lh
InChI InChI=1S/C19H27NO6/c1-3-5-7-15(4-2)13-25-18(21)10-11-19(22)26-14-16-8-6-9-17(12-16)20(23)24/h6,8-9,12,15H,3-5,7,10-11,13-14H2,1-2H3
InChIKey DGVHIGKHQKJCJK-UHFFFAOYSA-N
Mol Weight 365.43 g/mol
Molecular Formula C19H27NO6
Exact Mass 365.183838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlKi8QU5JDn
Name Succinic acid, 2-ethylhexyl 3-nitrobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.183837587 u
Formula C19H27NO6
InChI InChI=1S/C19H27NO6/c1-3-5-7-15(4-2)13-25-18(21)10-11-19(22)26-14-16-8-6-9-17(12-16)20(23)24/h6,8-9,12,15H,3-5,7,10-11,13-14H2,1-2H3
InChIKey DGVHIGKHQKJCJK-UHFFFAOYSA-N
Molecular Weight 365.426 g/mol
SMILES C(CC(OCC(CC)CCCC)=O)C(OCC1=CC=CC(=C1)N(=O)=O)=O