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Sebacic acid, decyl 2-nitrophenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 2-nitrophenyl ester
SpectraBase Compound ID 4ZjKYFl4i3q
InChI InChI=1S/C26H41NO6/c1-2-3-4-5-6-9-12-17-22-32-25(28)20-13-10-7-8-11-14-21-26(29)33-24-19-16-15-18-23(24)27(30)31/h15-16,18-19H,2-14,17,20-22H2,1H3
InChIKey BKOBZBLSPVDZAP-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C26H41NO6
Exact Mass 463.293388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D2ENyTdhjRs
Name Sebacic acid, decyl 2-nitrophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 463.293388038 u
Formula C26H41NO6
InChI InChI=1S/C26H41NO6/c1-2-3-4-5-6-9-12-17-22-32-25(28)20-13-10-7-8-11-14-21-26(29)33-24-19-16-15-18-23(24)27(30)31/h15-16,18-19H,2-14,17,20-22H2,1H3
InChIKey BKOBZBLSPVDZAP-UHFFFAOYSA-N
Molecular Weight 463.615 g/mol
SMILES C(CCCCCCCC(OC1=CC=CC=C1N(=O)=O)=O)C(OCCCCCCCCCC)=O