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Sebacic acid, heptyl 2-nitrophenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, heptyl 2-nitrophenyl ester
SpectraBase Compound ID BQkZlTfqqXn
InChI InChI=1S/C23H35NO6/c1-2-3-4-9-14-19-29-22(25)17-10-7-5-6-8-11-18-23(26)30-21-16-13-12-15-20(21)24(27)28/h12-13,15-16H,2-11,14,17-19H2,1H3
InChIKey OQGNAADVDQWBIV-UHFFFAOYSA-N
Mol Weight 421.5 g/mol
Molecular Formula C23H35NO6
Exact Mass 421.246438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HPxw6YMVHqj
Name Sebacic acid, heptyl 2-nitrophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 421.246437845 u
Formula C23H35NO6
InChI InChI=1S/C23H35NO6/c1-2-3-4-9-14-19-29-22(25)17-10-7-5-6-8-11-18-23(26)30-21-16-13-12-15-20(21)24(27)28/h12-13,15-16H,2-11,14,17-19H2,1H3
InChIKey OQGNAADVDQWBIV-UHFFFAOYSA-N
Molecular Weight 421.534 g/mol
SMILES C(CCCCCCCC(OC1=CC=CC=C1N(=O)=O)=O)C(OCCCCCCC)=O