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Sebacic acid, ethyl 2-(3-nitrophenyl)ethyl ester
SpectraBase Compound ID 2WJBGxVyoYd
InChI InChI=1S/C20H29NO6/c1-2-26-19(22)12-7-5-3-4-6-8-13-20(23)27-15-14-17-10-9-11-18(16-17)21(24)25/h9-11,16H,2-8,12-15H2,1H3
InChIKey QPNWEVHCYGIAHG-UHFFFAOYSA-N
Mol Weight 379.45 g/mol
Molecular Formula C20H29NO6
Exact Mass 379.199488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7OactxJn4oF
Name Sebacic acid, ethyl 2-(3-nitrophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.199487652 u
Formula C20H29NO6
InChI InChI=1S/C20H29NO6/c1-2-26-19(22)12-7-5-3-4-6-8-13-20(23)27-15-14-17-10-9-11-18(16-17)21(24)25/h9-11,16H,2-8,12-15H2,1H3
InChIKey QPNWEVHCYGIAHG-UHFFFAOYSA-N
Molecular Weight 379.453 g/mol
SMILES C(CCCCCCC(OCC)=O)CC(OCCC1=CC(=CC=C1)N(=O)=O)=O