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Sebacic acid, hexyl 2-(3-nitrophenyl)ethyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, hexyl 2-(3-nitrophenyl)ethyl ester
SpectraBase Compound ID IYhOnxsMl4J
InChI InChI=1S/C24H37NO6/c1-2-3-4-11-18-30-23(26)15-9-7-5-6-8-10-16-24(27)31-19-17-21-13-12-14-22(20-21)25(28)29/h12-14,20H,2-11,15-19H2,1H3
InChIKey AUUZTODYSIDJTF-UHFFFAOYSA-N
Mol Weight 435.6 g/mol
Molecular Formula C24H37NO6
Exact Mass 435.262088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNtDIwzOYmv
Name Sebacic acid, hexyl 2-(3-nitrophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 435.262087909 u
Formula C24H37NO6
InChI InChI=1S/C24H37NO6/c1-2-3-4-11-18-30-23(26)15-9-7-5-6-8-10-16-24(27)31-19-17-21-13-12-14-22(20-21)25(28)29/h12-14,20H,2-11,15-19H2,1H3
InChIKey AUUZTODYSIDJTF-UHFFFAOYSA-N
Molecular Weight 435.561 g/mol
SMILES C(CCCCCCC(OCCCCCC)=O)CC(OCCC1=CC(=CC=C1)N(=O)=O)=O