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Succinic acid, 2-ethylhexyl 3-nitrophenyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-ethylhexyl 3-nitrophenyl ester
SpectraBase Compound ID C1VMvX4ZiDW
InChI InChI=1S/C18H25NO6/c1-3-5-7-14(4-2)13-24-17(20)10-11-18(21)25-16-9-6-8-15(12-16)19(22)23/h6,8-9,12,14H,3-5,7,10-11,13H2,1-2H3
InChIKey HRDDXGLXDDNKNI-UHFFFAOYSA-N
Mol Weight 351.4 g/mol
Molecular Formula C18H25NO6
Exact Mass 351.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9l9uPihJQSD
Name Succinic acid, 2-ethylhexyl 3-nitrophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.168187523 u
Formula C18H25NO6
InChI InChI=1S/C18H25NO6/c1-3-5-7-14(4-2)13-24-17(20)10-11-18(21)25-16-9-6-8-15(12-16)19(22)23/h6,8-9,12,14H,3-5,7,10-11,13H2,1-2H3
InChIKey HRDDXGLXDDNKNI-UHFFFAOYSA-N
Molecular Weight 351.399 g/mol
SMILES C(CC(OCC(CC)CCCC)=O)C(OC1=CC=CC(=C1)N(=O)=O)=O